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

5
Patents

125.058914 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.06619 122.8
[M+Na]+ 148.04813 132.6
[M-H]- 124.05164 122.5
[M+NH4]+ 143.09274 145.0
[M+K]+ 164.02207 131.4
[M+H-H2O]+ 108.05617 116.0
[M+HCOO]- 170.05712 143.5
[M+CH3COO]- 184.07276 136.7
[M+Na-2H]- 146.03358 128.6
[M]+ 125.05837 121.7
[M]- 125.05946 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