CID 105515916

1781457-55-3

Structural Information

Molecular Formula
C13H16BrN
SMILES
C1CC2=C(C=C(C=C2)Br)C3(C1)CC3CN
InChI
InChI=1S/C13H16BrN/c14-11-4-3-9-2-1-5-13(12(9)6-11)7-10(13)8-15/h3-4,6,10H,1-2,5,7-8,15H2
InChIKey
HDOOMXIXHOVPFN-UHFFFAOYSA-N
Compound name
(6-bromospiro[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

265.0466 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.05388 154.2
[M+Na]+ 288.03582 166.5
[M-H]- 264.03932 163.2
[M+NH4]+ 283.08042 172.7
[M+K]+ 304.00976 154.5
[M+H-H2O]+ 248.04386 154.2
[M+HCOO]- 310.04480 172.5
[M+CH3COO]- 324.06045 167.9
[M+Na-2H]- 286.02127 161.7
[M]+ 265.04605 170.7
[M]- 265.04715 170.7
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.