CID 84082114

Rac-2-[(1s,2s)-2-benzylcyclopropyl]ethan-1-amine

Structural Information

Molecular Formula
C12H17N
SMILES
C1C(C1CC2=CC=CC=C2)CCN
InChI
InChI=1S/C12H17N/c13-7-6-11-9-12(11)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9,13H2
InChIKey
OMHMEIBZHYKIJZ-UHFFFAOYSA-N
Compound name
2-(2-benzylcyclopropyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.1361 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14338 135.8
[M+Na]+ 198.12532 144.0
[M-H]- 174.12882 142.8
[M+NH4]+ 193.16992 150.9
[M+K]+ 214.09926 140.3
[M+H-H2O]+ 158.13336 129.1
[M+HCOO]- 220.13430 160.5
[M+CH3COO]- 234.14995 187.3
[M+Na-2H]- 196.11077 141.9
[M]+ 175.13555 136.7
[M]- 175.13665 136.7
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.