CID 16227877

2-(5-amino-3-tert-butyl-1h-pyrazol-1-yl)ethan-1-ol

Structural Information

Molecular Formula
C9H17N3O
SMILES
CC(C)(C)C1=NN(C(=C1)N)CCO
InChI
InChI=1S/C9H17N3O/c1-9(2,3)7-6-8(10)12(11-7)4-5-13/h6,13H,4-5,10H2,1-3H3
InChIKey
WDTAULDXZVYRKM-UHFFFAOYSA-N
Compound name
2-(5-amino-3-tert-butylpyrazol-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

183.13716 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.14444 143.5
[M+Na]+ 206.12638 151.9
[M-H]- 182.12988 143.2
[M+NH4]+ 201.17098 162.1
[M+K]+ 222.10032 149.6
[M+H-H2O]+ 166.13442 137.2
[M+HCOO]- 228.13536 163.7
[M+CH3COO]- 242.15101 182.4
[M+Na-2H]- 204.11183 147.4
[M]+ 183.13661 143.1
[M]- 183.13771 143.1
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