CID 774089

2604-08-2

Structural Information

Molecular Formula
C10H12N2O2
SMILES
CN(C)C1=CC=C(C=C1)/C=C/[N+](=O)[O-]
InChI
InChI=1S/C10H12N2O2/c1-11(2)10-5-3-9(4-6-10)7-8-12(13)14/h3-8H,1-2H3/b8-7+
InChIKey
RIXCESCQOUSSJX-BQYQJAHWSA-N
Compound name
N,N-dimethyl-4-[(E)-2-nitroethenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

39
Patents

192.08987 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.09715 140.7
[M+Na]+ 215.07909 147.1
[M-H]- 191.08259 145.8
[M+NH4]+ 210.12369 159.8
[M+K]+ 231.05303 142.0
[M+H-H2O]+ 175.08713 138.9
[M+HCOO]- 237.08807 167.8
[M+CH3COO]- 251.10372 183.4
[M+Na-2H]- 213.06454 147.9
[M]+ 192.08932 139.9
[M]- 192.09042 139.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe