CID 67112158

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

Structural Information

Molecular Formula
C7H13N3O
SMILES
CC(C)(CN1C=C(C=N1)N)O
InChI
InChI=1S/C7H13N3O/c1-7(2,11)5-10-4-6(8)3-9-10/h3-4,11H,5,8H2,1-2H3
InChIKey
WJLKJRCGDXKJDQ-UHFFFAOYSA-N
Compound name
1-(4-aminopyrazol-1-yl)-2-methylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

155.10587 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.11315 134.1
[M+Na]+ 178.09509 142.3
[M-H]- 154.09859 133.7
[M+NH4]+ 173.13969 153.4
[M+K]+ 194.06903 140.6
[M+H-H2O]+ 138.10313 127.8
[M+HCOO]- 200.10407 155.0
[M+CH3COO]- 214.11972 175.8
[M+Na-2H]- 176.08054 139.8
[M]+ 155.10532 132.6
[M]- 155.10642 132.6
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