CID 59344938

1003013-47-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

155.10587 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.113146 134.1
[M+Na]+ 178.095088 142.3
[M-H]- 154.098594 133.7
[M+NH4]+ 173.139693 153.4
[M+K]+ 194.069028 140.6
[M+H-H2O]+ 138.103130 127.8
[M+HCOO]- 200.104071 155.0
[M+CH3COO]- 214.119721 175.8
[M+Na-2H]- 176.080536 139.8
[M]+ 155.10532142 132.6
[M]- 155.10641858 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