CID 26009888

Noname_52

Structural Information

Molecular Formula
C4H7N3O
SMILES
CN1C=C(N=C1N)O
InChI
InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2,8H,1H3,(H2,5,6)
InChIKey
BTXYOFGSUFEOLA-UHFFFAOYSA-N
Compound name
2-amino-1-methylimidazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

13399
Patents

113.058914 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.066190 119.5
[M+Na]+ 136.048132 129.6
[M-H]- 112.051638 119.7
[M+NH4]+ 131.092737 140.6
[M+K]+ 152.022072 128.1
[M+H-H2O]+ 96.056174 113.3
[M+HCOO]- 158.057115 143.0
[M+CH3COO]- 172.072765 167.5
[M+Na-2H]- 134.033580 125.3
[M]+ 113.05836542 117.8
[M]- 113.05946258 117.8
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