CID 55254473

2-amino-3-(1-methyl-1h-pyrazol-4-yl)propan-1-ol dihydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.10587 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.113146 133.8
[M+Na]+ 178.095088 141.3
[M-H]- 154.098594 133.1
[M+NH4]+ 173.139693 152.8
[M+K]+ 194.069028 139.6
[M+H-H2O]+ 138.103130 126.7
[M+HCOO]- 200.104071 155.2
[M+CH3COO]- 214.119721 176.3
[M+Na-2H]- 176.080536 137.5
[M]+ 155.10532142 132.2
[M]- 155.10641858 132.2
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.