CID 12377312

54252-45-8

Structural Information

Molecular Formula
C4H9N3O2
SMILES
CNC(=C[N+](=O)[O-])NC
InChI
InChI=1S/C4H9N3O2/c1-5-4(6-2)3-7(8)9/h3,5-6H,1-2H3
InChIKey
VQBVPDAUEBSGMB-UHFFFAOYSA-N
Compound name
1-N,1-N'-dimethyl-2-nitroethene-1,1-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

131.06947 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.07675 123.7
[M+Na]+ 154.05869 129.4
[M-H]- 130.06219 124.2
[M+NH4]+ 149.10329 144.2
[M+K]+ 170.03263 125.5
[M+H-H2O]+ 114.06673 123.2
[M+HCOO]- 176.06767 150.7
[M+CH3COO]- 190.08332 170.6
[M+Na-2H]- 152.04414 131.8
[M]+ 131.06892 120.1
[M]- 131.07002 120.1
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