CID 4719884

N-[(3-nitrophenyl)methyl]cyclopropanamine

Structural Information

Molecular Formula
C10H12N2O2
SMILES
C1CC1NCC2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H12N2O2/c13-12(14)10-3-1-2-8(6-10)7-11-9-4-5-9/h1-3,6,9,11H,4-5,7H2
InChIKey
GWSJEOSLGCHZPF-UHFFFAOYSA-N
Compound name
N-[(3-nitrophenyl)methyl]cyclopropanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

192.08987 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.09715 132.4
[M+Na]+ 215.07909 140.1
[M-H]- 191.08259 139.9
[M+NH4]+ 210.12369 146.1
[M+K]+ 231.05303 133.1
[M+H-H2O]+ 175.08713 130.2
[M+HCOO]- 237.08807 159.3
[M+CH3COO]- 251.10372 183.5
[M+Na-2H]- 213.06454 141.5
[M]+ 192.08932 132.3
[M]- 192.09042 132.3
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

patents stripe