CID 15374885

107144-30-9

Structural Information

Molecular Formula
C12H14N2O3
SMILES
CC1(CN(NC1=O)C2=CC=C(C=C2)C(=O)O)C
InChI
InChI=1S/C12H14N2O3/c1-12(2)7-14(13-11(12)17)9-5-3-8(4-6-9)10(15)16/h3-6H,7H2,1-2H3,(H,13,17)(H,15,16)
InChIKey
RZSMYBKVQYILRO-UHFFFAOYSA-N
Compound name
4-(4,4-dimethyl-3-oxopyrazolidin-1-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

234.10045 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.10773 152.8
[M+Na]+ 257.08967 163.2
[M+NH4]+ 252.13427 160.0
[M+K]+ 273.06361 159.0
[M-H]- 233.09317 152.8
[M+Na-2H]- 255.07512 158.1
[M]+ 234.09990 154.0
[M]- 234.10100 154.0
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

patents stripe