CID 4719552

893590-94-8

Structural Information

Molecular Formula
C10H12N2O2
SMILES
C=CCNCC1=CC(=CC=C1)[N+](=O)[O-]
InChI
InChI=1S/C10H12N2O2/c1-2-6-11-8-9-4-3-5-10(7-9)12(13)14/h2-5,7,11H,1,6,8H2
InChIKey
SRSCWMYGQQRHPY-UHFFFAOYSA-N
Compound name
N-[(3-nitrophenyl)methyl]prop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.08987 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.09715 140.4
[M+Na]+ 215.07909 146.6
[M-H]- 191.08259 144.0
[M+NH4]+ 210.12369 158.8
[M+K]+ 231.05303 140.0
[M+H-H2O]+ 175.08713 138.7
[M+HCOO]- 237.08807 167.0
[M+CH3COO]- 251.10372 180.6
[M+Na-2H]- 213.06454 148.4
[M]+ 192.08932 138.5
[M]- 192.09042 138.5
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

No patent data available for this compound.