CID 152923

1-benzylcyclopropan-1-amine hydrochloride

Structural Information

Molecular Formula
C10H13N
SMILES
C1CC1(CC2=CC=CC=C2)N
InChI
InChI=1S/C10H13N/c11-10(6-7-10)8-9-4-2-1-3-5-9/h1-5H,6-8,11H2
InChIKey
GEQRCQKFLCJFEC-UHFFFAOYSA-N
Compound name
1-benzylcyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

121
Patents

147.1048 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.11208 128.8
[M+Na]+ 170.09402 137.7
[M-H]- 146.09752 136.2
[M+NH4]+ 165.13862 146.7
[M+K]+ 186.06796 135.5
[M+H-H2O]+ 130.10206 123.2
[M+HCOO]- 192.10300 153.8
[M+CH3COO]- 206.11865 180.1
[M+Na-2H]- 168.07947 137.5
[M]+ 147.10425 129.0
[M]- 147.10535 129.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe