CID 4719961

N-[(4-methylphenyl)methyl]cyclopropanamine

Structural Information

Molecular Formula
C11H15N
SMILES
CC1=CC=C(C=C1)CNC2CC2
InChI
InChI=1S/C11H15N/c1-9-2-4-10(5-3-9)8-12-11-6-7-11/h2-5,11-12H,6-8H2,1H3
InChIKey
JRPNBGMYKFLJGJ-UHFFFAOYSA-N
Compound name
N-[(4-methylphenyl)methyl]cyclopropanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

161.12045 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.12773 131.7
[M+Na]+ 184.10967 140.4
[M-H]- 160.11317 139.4
[M+NH4]+ 179.15427 147.7
[M+K]+ 200.08361 137.3
[M+H-H2O]+ 144.11771 125.1
[M+HCOO]- 206.11865 157.3
[M+CH3COO]- 220.13430 185.1
[M+Na-2H]- 182.09512 139.4
[M]+ 161.11990 133.2
[M]- 161.12100 133.2
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