CID 11970522

Ns00120897

Structural Information

Molecular Formula
C6H10N4O2
SMILES
CC(CN)N1C=NC=C1[N+](=O)[O-]
InChI
InChI=1S/C6H10N4O2/c1-5(2-7)9-4-8-3-6(9)10(11)12/h3-5H,2,7H2,1H3
InChIKey
CYVGXZXZEVRYHM-UHFFFAOYSA-N
Compound name
2-(5-nitroimidazol-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.08037 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.087646 132.9
[M+Na]+ 193.069588 140.0
[M-H]- 169.073094 133.9
[M+NH4]+ 188.114193 151.0
[M+K]+ 209.043528 135.2
[M+H-H2O]+ 153.077630 130.2
[M+HCOO]- 215.078571 157.2
[M+CH3COO]- 229.094221 174.8
[M+Na-2H]- 191.055036 139.4
[M]+ 170.07982142 129.9
[M]- 170.08091858 129.9
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.