CID 6434241

Cinnamonitrile, alpha-nitro-

Structural Information

Molecular Formula
C9H6N2O2
SMILES
C1=CC=C(C=C1)/C=C(/C#N)\[N+](=O)[O-]
InChI
InChI=1S/C9H6N2O2/c10-7-9(11(12)13)6-8-4-2-1-3-5-8/h1-6H/b9-6-
InChIKey
LUBZISVMDWFFEL-TWGQIWQCSA-N
Compound name
(Z)-2-nitro-3-phenylprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

174.04292 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.050196 143.2
[M+Na]+ 197.032138 151.6
[M-H]- 173.035644 146.1
[M+NH4]+ 192.076743 160.2
[M+K]+ 213.006078 145.0
[M+H-H2O]+ 157.040180 134.8
[M+HCOO]- 219.041121 164.1
[M+CH3COO]- 233.056771 186.1
[M+Na-2H]- 195.017586 149.3
[M]+ 174.04237142 135.6
[M]- 174.04346858 135.6
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