CID 65008923

1-{5-phenylspiro[2.3]hexan-5-yl}methanamine hydrochloride

Structural Information

Molecular Formula
C13H17N
SMILES
C1CC12CC(C2)(CN)C3=CC=CC=C3
InChI
InChI=1S/C13H17N/c14-10-13(8-12(9-13)6-7-12)11-4-2-1-3-5-11/h1-5H,6-10,14H2
InChIKey
IKJQPANXIKAQIY-UHFFFAOYSA-N
Compound name
(5-phenylspiro[2.3]hexan-5-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]+ 188.14338 140.4
[M+Na]+ 210.12532 148.1
[M-H]- 186.12882 149.6
[M+NH4]+ 205.16992 152.9
[M+K]+ 226.09926 148.7
[M+H-H2O]+ 170.13336 130.9
[M+HCOO]- 232.13430 162.3
[M+CH3COO]- 246.14995 190.2
[M+Na-2H]- 208.11077 148.4
[M]+ 187.13555 148.3
[M]- 187.13665 148.3
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.