CID 94557846

Rac-[(1r,3r)-3',4'-dihydro-2'h-spiro[cyclopropane-1,1'-naphthalene]-3-yl]methanamine hydrochloride

Structural Information

Molecular Formula
C13H17N
SMILES
C1CC2=CC=CC=C2[C@]3(C1)C[C@H]3CN
InChI
InChI=1S/C13H17N/c14-9-11-8-13(11)7-3-5-10-4-1-2-6-12(10)13/h1-2,4,6,11H,3,5,7-9,14H2/t11-,13+/m0/s1
InChIKey
VMSMCNSSOIREHC-WCQYABFASA-N
Compound name
[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.1361 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.143376 140.8
[M+Na]+ 210.125318 149.6
[M-H]- 186.128824 147.5
[M+NH4]+ 205.169923 158.6
[M+K]+ 226.099258 145.9
[M+H-H2O]+ 170.133360 134.9
[M+HCOO]- 232.134301 161.6
[M+CH3COO]- 246.149951 153.4
[M+Na-2H]- 208.110766 148.7
[M]+ 187.13555142 139.1
[M]- 187.13664858 139.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.