CID 68411812

2-(1-phenylcyclopropyl)propan-2-amine

Structural Information

Molecular Formula
C12H17N
SMILES
CC(C)(C1(CC1)C2=CC=CC=C2)N
InChI
InChI=1S/C12H17N/c1-11(2,13)12(8-9-12)10-6-4-3-5-7-10/h3-7H,8-9,13H2,1-2H3
InChIKey
RONWWQKYWOGAQO-UHFFFAOYSA-N
Compound name
2-(1-phenylcyclopropyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

175.1361 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.143376 137.0
[M+Na]+ 198.125318 145.5
[M-H]- 174.128824 144.3
[M+NH4]+ 193.169923 153.9
[M+K]+ 214.099258 143.2
[M+H-H2O]+ 158.133360 131.8
[M+HCOO]- 220.134301 159.9
[M+CH3COO]- 234.149951 186.2
[M+Na-2H]- 196.110766 145.4
[M]+ 175.13555142 137.5
[M]- 175.13664858 137.5
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

patents stripe