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
3
Annotation Hits

1
References

177
Patents

129.05383 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.061106 124.6
[M+Na]+ 152.043048 130.4
[M-H]- 128.046554 122.6
[M+NH4]+ 147.087653 143.2
[M+K]+ 168.016988 124.2
[M+H-H2O]+ 112.051090 122.8
[M+HCOO]- 174.052031 144.5
[M+CH3COO]- 188.067681 156.4
[M+Na-2H]- 150.028496 131.5
[M]+ 129.05328142 115.7
[M]- 129.05437858 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