CID 55250681

2-amino-3-(1,3-dimethyl-1h-pyrazol-4-yl)propanoic acid dihydrochloride

Structural Information

Molecular Formula
C8H13N3O2
SMILES
CC1=NN(C=C1CC(C(=O)O)N)C
InChI
InChI=1S/C8H13N3O2/c1-5-6(4-11(2)10-5)3-7(9)8(12)13/h4,7H,3,9H2,1-2H3,(H,12,13)
InChIKey
ZNQBUYCNGJNQQV-UHFFFAOYSA-N
Compound name
2-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.10077 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.108046 140.3
[M+Na]+ 206.089988 148.2
[M-H]- 182.093494 140.1
[M+NH4]+ 201.134593 158.3
[M+K]+ 222.063928 146.7
[M+H-H2O]+ 166.098030 133.5
[M+HCOO]- 228.098971 160.9
[M+CH3COO]- 242.114621 182.7
[M+Na-2H]- 204.075436 141.6
[M]+ 183.10022142 139.5
[M]- 183.10131858 139.5
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.