CID 12377312

N,n'-dimethyl-2-nitro-1,1-ethenediamine

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

15
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 124.6
[M+Na]+ 154.05869 133.4
[M+NH4]+ 149.10329 131.7
[M+K]+ 170.03263 131.9
[M-H]- 130.06219 125.7
[M+Na-2H]- 152.04414 127.9
[M]+ 131.06892 125.6
[M]- 131.07002 125.6
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