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

40
Patents

169.1215 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.128776 138.7
[M+Na]+ 192.110718 147.4
[M-H]- 168.114224 138.5
[M+NH4]+ 187.155323 157.7
[M+K]+ 208.084658 145.4
[M+H-H2O]+ 152.118760 132.5
[M+HCOO]- 214.119701 159.2
[M+CH3COO]- 228.135351 180.0
[M+Na-2H]- 190.096166 143.1
[M]+ 169.12095142 137.9
[M]- 169.12204858 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