CID 637928

1190-92-7

Structural Information

Molecular Formula

C₄H₈N₂O₂

SMILES

CN(C)/C=C/[N+](=O)[O-]

InChI

InChI=1S/C4H8N2O2/c1-5(2)3-4-6(7)8/h3-4H,1-2H3/b4-3+

InChIKey

JKOVQYWMFZTKMX-ONEGZZNKSA-N

Compound name

(E)-N,N-dimethyl-2-nitroethenamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 365
Patents: 116.05858 Da
Monoisotopic Mass: -0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	117.065856	120.8
[M+Na]+	139.047798	127.9
[M-H]-	115.051304	123.0
[M+NH4]+	134.092403	143.1
[M+K]+	155.021738	125.1
[M+H-H2O]+	99.055840	120.8
[M+HCOO]-	161.056781	148.3
[M+CH3COO]-	175.072431	168.8
[M+Na-2H]-	137.033246	129.1
[M]+	116.05803142	120.0
[M]-	116.05912858	120.0

Literature stripe

literature stripe

Patent stripe

patents stripe