CID 3014763

2-(nitromethylene)imidazolidine

Structural Information

Molecular Formula
C4H7N3O2
SMILES
C1CNC(=C[N+](=O)[O-])N1
InChI
InChI=1S/C4H7N3O2/c8-7(9)3-4-5-1-2-6-4/h3,5-6H,1-2H2
InChIKey
OHXNZFJZRFHBLX-UHFFFAOYSA-N
Compound name
2-(nitromethylidene)imidazolidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

145
Patents

129.05383 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.06111 124.6
[M+Na]+ 152.04305 130.4
[M-H]- 128.04655 122.6
[M+NH4]+ 147.08765 143.2
[M+K]+ 168.01699 124.2
[M+H-H2O]+ 112.05109 122.8
[M+HCOO]- 174.05203 144.5
[M+CH3COO]- 188.06768 156.4
[M+Na-2H]- 150.02850 131.5
[M]+ 129.05328 115.7
[M]- 129.05438 115.7
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