CID 122163641

1955556-97-4

Structural Information

Molecular Formula
C9H13N3O2
SMILES
CN1C=C(C=N1)[C@@H]2CNC[C@H]2C(=O)O
InChI
InChI=1S/C9H13N3O2/c1-12-5-6(2-11-12)7-3-10-4-8(7)9(13)14/h2,5,7-8,10H,3-4H2,1H3,(H,13,14)/t7-,8+/m0/s1
InChIKey
LNJOGHQJZLGGLE-JGVFFNPUSA-N
Compound name
(3S,4R)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.10077 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.108046 143.6
[M+Na]+ 218.089988 150.8
[M-H]- 194.093494 144.0
[M+NH4]+ 213.134593 160.9
[M+K]+ 234.063928 148.2
[M+H-H2O]+ 178.098030 135.9
[M+HCOO]- 240.098971 160.9
[M+CH3COO]- 254.114621 177.5
[M+Na-2H]- 216.075436 143.4
[M]+ 195.10022142 139.7
[M]- 195.10131858 139.7
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.