CID 20261640

Schembl13670697

Structural Information

Molecular Formula
C5H11N3O2
SMILES
CCN/C(=C/[N+](=O)[O-])/NC
InChI
InChI=1S/C5H11N3O2/c1-3-7-5(6-2)4-8(9)10/h4,6-7H,3H2,1-2H3/b5-4+
InChIKey
UVYOJOLPDPMHBJ-SNAWJCMRSA-N
Compound name
(E)-1-N'-ethyl-1-N-methyl-2-nitroethene-1,1-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

145.08513 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.092406 128.5
[M+Na]+ 168.074348 133.7
[M-H]- 144.077854 128.8
[M+NH4]+ 163.118953 148.4
[M+K]+ 184.048288 129.6
[M+H-H2O]+ 128.082390 127.7
[M+HCOO]- 190.083331 155.1
[M+CH3COO]- 204.098981 173.7
[M+Na-2H]- 166.059796 136.0
[M]+ 145.08458142 125.2
[M]- 145.08567858 125.2
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