CID 50896811

(3-amino-1-isopropyl-1h-pyrazol-5-yl)methanol

Structural Information

Molecular Formula
C7H13N3O
SMILES
CC(C)N1C(=CC(=N1)N)CO
InChI
InChI=1S/C7H13N3O/c1-5(2)10-6(4-11)3-7(8)9-10/h3,5,11H,4H2,1-2H3,(H2,8,9)
InChIKey
SZQPZNQNBARPRJ-UHFFFAOYSA-N
Compound name
(5-amino-2-propan-2-ylpyrazol-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.10587 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.11315 133.3
[M+Na]+ 178.09509 142.9
[M+NH4]+ 173.13969 140.1
[M+K]+ 194.06903 140.8
[M-H]- 154.09859 132.9
[M+Na-2H]- 176.08054 137.0
[M]+ 155.10532 134.1
[M]- 155.10642 134.1
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

No patent data available for this compound.