CID 18526356

2',3'-dihydro-1'h-spiro[cyclopentane-1,4'-isoquinoline] hydrochloride

Structural Information

Molecular Formula
C13H17N
SMILES
C1CCC2(C1)CNCC3=CC=CC=C23
InChI
InChI=1S/C13H17N/c1-2-6-12-11(5-1)9-14-10-13(12)7-3-4-8-13/h1-2,5-6,14H,3-4,7-10H2
InChIKey
UODMFNSQKOIWLQ-UHFFFAOYSA-N
Compound name
spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

187.1361 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.143376 143.7
[M+Na]+ 210.125318 149.4
[M-H]- 186.128824 146.7
[M+NH4]+ 205.169923 166.1
[M+K]+ 226.099258 144.6
[M+H-H2O]+ 170.133360 136.6
[M+HCOO]- 232.134301 160.5
[M+CH3COO]- 246.149951 155.1
[M+Na-2H]- 208.110766 149.3
[M]+ 187.13555142 135.8
[M]- 187.13664858 135.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe