CID 3044080

56740-42-2

Structural Information

Molecular Formula
C12H17N
SMILES
CC1(CCC(C1)N)C2=CC=CC=C2
InChI
InChI=1S/C12H17N/c1-12(8-7-11(13)9-12)10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3
InChIKey
UXJTXGZWYKPUAM-UHFFFAOYSA-N
Compound name
3-methyl-3-phenylcyclopentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.1361 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14338 139.4
[M+Na]+ 198.12532 145.9
[M-H]- 174.12882 145.5
[M+NH4]+ 193.16992 162.7
[M+K]+ 214.09926 142.7
[M+H-H2O]+ 158.13336 133.5
[M+HCOO]- 220.13430 162.8
[M+CH3COO]- 234.14995 181.4
[M+Na-2H]- 196.11077 143.8
[M]+ 175.13555 134.6
[M]- 175.13665 134.6
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.