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 140.5
[M+Na]+ 215.07909 153.0
[M+NH4]+ 210.12369 148.6
[M+K]+ 231.05303 148.7
[M-H]- 191.08259 144.4
[M+Na-2H]- 213.06454 147.1
[M]+ 192.08932 143.1
[M]- 192.09042 143.1
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.