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]+ 182.12878 139.6
[M+Na]+ 204.11072 147.0
[M-H]- 180.11422 139.5
[M+NH4]+ 199.15532 158.8
[M+K]+ 220.08466 143.8
[M+H-H2O]+ 164.11876 132.7
[M+HCOO]- 226.11970 158.5
[M+CH3COO]- 240.13535 180.7
[M+Na-2H]- 202.09617 144.0
[M]+ 181.12095 135.9
[M]- 181.12205 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.