CID 137944081

2287267-67-6

Structural Information

Molecular Formula
C8H13N3O2
SMILES
COC(=O)C(CCC1=CNN=C1)N
InChI
InChI=1S/C8H13N3O2/c1-13-8(12)7(9)3-2-6-4-10-11-5-6/h4-5,7H,2-3,9H2,1H3,(H,10,11)
InChIKey
XIAIWUKINHXWFH-UHFFFAOYSA-N
Compound name
methyl 2-amino-4-(1H-pyrazol-4-yl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.10077 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.10805 140.6
[M+Na]+ 206.08999 148.4
[M+NH4]+ 201.13459 146.2
[M+K]+ 222.06393 147.0
[M-H]- 182.09349 139.1
[M+Na-2H]- 204.07544 143.6
[M]+ 183.10022 140.7
[M]- 183.10132 140.7
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.