CID 373053

Nsc648885

Structural Information

Molecular Formula
C6H9N5O2
SMILES
CC1=NC(=CN1CC(=N)N)[N+](=O)[O-]
InChI
InChI=1S/C6H9N5O2/c1-4-9-6(11(12)13)3-10(4)2-5(7)8/h3H,2H2,1H3,(H3,7,8)
InChIKey
MAVIGNHNGQTYIE-UHFFFAOYSA-N
Compound name
2-(2-methyl-4-nitroimidazol-1-yl)ethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.07562 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.08290 134.4
[M+Na]+ 206.06484 141.7
[M-H]- 182.06834 135.9
[M+NH4]+ 201.10944 151.8
[M+K]+ 222.03878 136.2
[M+H-H2O]+ 166.07288 131.6
[M+HCOO]- 228.07382 159.9
[M+CH3COO]- 242.08947 179.8
[M+Na-2H]- 204.05029 140.9
[M]+ 183.07507 130.3
[M]- 183.07617 130.3
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

No patent data available for this compound.