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]+ 193.097146 140.4
[M+Na]+ 215.079088 146.6
[M-H]- 191.082594 144.0
[M+NH4]+ 210.123693 158.8
[M+K]+ 231.053028 140.0
[M+H-H2O]+ 175.087130 138.7
[M+HCOO]- 237.088071 167.0
[M+CH3COO]- 251.103721 180.6
[M+Na-2H]- 213.064536 148.4
[M]+ 192.08932142 138.5
[M]- 192.09041858 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.