CID 11819088

6,7-dihydro-5h-pyrrolo[1,2-b][1,2,4]triazol-6-ol

Structural Information

Molecular Formula
C5H7N3O
SMILES
C1C(CN2C1=NC=N2)O
InChI
InChI=1S/C5H7N3O/c9-4-1-5-6-3-7-8(5)2-4/h3-4,9H,1-2H2
InChIKey
GWIZDRRBDXXWIB-UHFFFAOYSA-N
Compound name
6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

125.058914 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.066190 122.8
[M+Na]+ 148.048132 132.6
[M-H]- 124.051638 122.5
[M+NH4]+ 143.092737 145.0
[M+K]+ 164.022072 131.4
[M+H-H2O]+ 108.056174 116.0
[M+HCOO]- 170.057115 143.5
[M+CH3COO]- 184.072765 136.7
[M+Na-2H]- 146.033580 128.6
[M]+ 125.05836542 121.7
[M]- 125.05946258 121.7
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

patents stripe