CID 69281505

1-(4-amino-5-methyl-1h-pyrazol-1-yl)-2-methylpropan-2-ol

Structural Information

Molecular Formula
C8H15N3O
SMILES
CC1=C(C=NN1CC(C)(C)O)N
InChI
InChI=1S/C8H15N3O/c1-6-7(9)4-10-11(6)5-8(2,3)12/h4,12H,5,9H2,1-3H3
InChIKey
XWZSKRHHQVCOPZ-UHFFFAOYSA-N
Compound name
1-(4-amino-5-methylpyrazol-1-yl)-2-methylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

169.1215 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.12878 138.7
[M+Na]+ 192.11072 147.4
[M-H]- 168.11422 138.5
[M+NH4]+ 187.15532 157.7
[M+K]+ 208.08466 145.4
[M+H-H2O]+ 152.11876 132.5
[M+HCOO]- 214.11970 159.2
[M+CH3COO]- 228.13535 180.0
[M+Na-2H]- 190.09617 143.1
[M]+ 169.12095 137.9
[M]- 169.12205 137.9
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

patents stripe