CID 53275651

(2-(m-tolyl)cyclopropyl)methanamine

Structural Information

Molecular Formula
C11H15N
SMILES
CC1=CC(=CC=C1)C2CC2CN
InChI
InChI=1S/C11H15N/c1-8-3-2-4-9(5-8)11-6-10(11)7-12/h2-5,10-11H,6-7,12H2,1H3
InChIKey
PDGGJTWTUULHJG-UHFFFAOYSA-N
Compound name
[2-(3-methylphenyl)cyclopropyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

161.12045 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.12773 131.4
[M+Na]+ 184.10967 141.0
[M-H]- 160.11317 139.0
[M+NH4]+ 179.15427 147.5
[M+K]+ 200.08361 137.4
[M+H-H2O]+ 144.11771 125.2
[M+HCOO]- 206.11865 156.4
[M+CH3COO]- 220.13430 185.5
[M+Na-2H]- 182.09512 137.4
[M]+ 161.11990 132.4
[M]- 161.12100 132.4
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