CID 84082114

2-(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]+ 176.143376 135.8
[M+Na]+ 198.125318 144.0
[M-H]- 174.128824 142.8
[M+NH4]+ 193.169923 150.9
[M+K]+ 214.099258 140.3
[M+H-H2O]+ 158.133360 129.1
[M+HCOO]- 220.134301 160.5
[M+CH3COO]- 234.149951 187.3
[M+Na-2H]- 196.110766 141.9
[M]+ 175.13555142 136.7
[M]- 175.13664858 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.