CID 70287

(1-phenylcyclopropyl)methanamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

154
Patents

147.1048 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.11208 133.5
[M+Na]+ 170.09402 147.6
[M+NH4]+ 165.13862 145.3
[M+K]+ 186.06796 139.9
[M-H]- 146.09752 145.2
[M+Na-2H]- 168.07947 146.3
[M]+ 147.10425 140.2
[M]- 147.10535 140.2
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