CID 63948693

Methyl 3-(4-amino-3,5-dimethyl-1h-pyrazol-1-yl)propanoate

Structural Information

Molecular Formula
C9H15N3O2
SMILES
CC1=C(C(=NN1CCC(=O)OC)C)N
InChI
InChI=1S/C9H15N3O2/c1-6-9(10)7(2)12(11-6)5-4-8(13)14-3/h4-5,10H2,1-3H3
InChIKey
ZRFMJKRWTMGMTM-UHFFFAOYSA-N
Compound name
methyl 3-(4-amino-3,5-dimethylpyrazol-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.11642 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.12370 143.8
[M+Na]+ 220.10564 153.0
[M-H]- 196.10914 145.1
[M+NH4]+ 215.15024 162.5
[M+K]+ 236.07958 151.6
[M+H-H2O]+ 180.11368 136.8
[M+HCOO]- 242.11462 166.5
[M+CH3COO]- 256.13027 187.8
[M+Na-2H]- 218.09109 145.6
[M]+ 197.11587 146.3
[M]- 197.11697 146.3
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.