CID 54593563

4,5,6,7-tetrahydro-2h-indazol-7-ol

Structural Information

Molecular Formula
C7H10N2O
SMILES
C1CC(C2=C(C1)C=NN2)O
InChI
InChI=1S/C7H10N2O/c10-6-3-1-2-5-4-8-9-7(5)6/h4,6,10H,1-3H2,(H,8,9)
InChIKey
VQMSYECVUXBUOI-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydro-1H-indazol-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

138.07932 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.086596 127.6
[M+Na]+ 161.068538 135.3
[M-H]- 137.072044 126.6
[M+NH4]+ 156.113143 148.1
[M+K]+ 177.042478 132.2
[M+H-H2O]+ 121.076580 121.4
[M+HCOO]- 183.077521 145.2
[M+CH3COO]- 197.093171 140.0
[M+Na-2H]- 159.053986 133.7
[M]+ 138.07877142 122.6
[M]- 138.07986858 122.6
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