CID 43810753

2-(4-amino-4,5,6,7-tetrahydro-1h-indazol-1-yl)ethan-1-ol

Structural Information

Molecular Formula
C9H15N3O
SMILES
C1CC(C2=C(C1)N(N=C2)CCO)N
InChI
InChI=1S/C9H15N3O/c10-8-2-1-3-9-7(8)6-11-12(9)4-5-13/h6,8,13H,1-5,10H2
InChIKey
HCBVNRIFWSZMKU-UHFFFAOYSA-N
Compound name
2-(4-amino-4,5,6,7-tetrahydroindazol-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.1215 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.128776 139.6
[M+Na]+ 204.110718 147.0
[M-H]- 180.114224 139.5
[M+NH4]+ 199.155323 158.8
[M+K]+ 220.084658 143.8
[M+H-H2O]+ 164.118760 132.7
[M+HCOO]- 226.119701 158.5
[M+CH3COO]- 240.135351 180.7
[M+Na-2H]- 202.096166 144.0
[M]+ 181.12095142 135.9
[M]- 181.12204858 135.9
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.