CID 16227877

908267-36-7

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

87
Patents

183.13716 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.144436 143.5
[M+Na]+ 206.126378 151.9
[M-H]- 182.129884 143.2
[M+NH4]+ 201.170983 162.1
[M+K]+ 222.100318 149.6
[M+H-H2O]+ 166.134420 137.2
[M+HCOO]- 228.135361 163.7
[M+CH3COO]- 242.151011 182.4
[M+Na-2H]- 204.111826 147.4
[M]+ 183.13661142 143.1
[M]- 183.13770858 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