CID 132371519

2155855-89-1

Structural Information

Molecular Formula
C10H15N3O3
SMILES
CN1C=C(C(=N1)C(=O)O)CN2CCC(C2)O
InChI
InChI=1S/C10H15N3O3/c1-12-4-7(9(11-12)10(15)16)5-13-3-2-8(14)6-13/h4,8,14H,2-3,5-6H2,1H3,(H,15,16)
InChIKey
XOTIUYNUZYTJJD-UHFFFAOYSA-N
Compound name
4-[(3-hydroxypyrrolidin-1-yl)methyl]-1-methylpyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.11134 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.118616 150.4
[M+Na]+ 248.100558 157.9
[M-H]- 224.104064 151.1
[M+NH4]+ 243.145163 166.7
[M+K]+ 264.074498 155.6
[M+H-H2O]+ 208.108600 142.8
[M+HCOO]- 270.109541 167.6
[M+CH3COO]- 284.125191 183.9
[M+Na-2H]- 246.086006 149.1
[M]+ 225.11079142 148.7
[M]- 225.11188858 148.7
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.