CID 39870216

4-(3-methyl-4,5-dihydro-1h-pyrazol-1-yl)benzoic acid

Structural Information

Molecular Formula
C11H12N2O2
SMILES
CC1=NN(CC1)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C11H12N2O2/c1-8-6-7-13(12-8)10-4-2-9(3-5-10)11(14)15/h2-5H,6-7H2,1H3,(H,14,15)
InChIKey
ZNSOPPVIOVDORC-UHFFFAOYSA-N
Compound name
4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

204.08987 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09715 144.9
[M+Na]+ 227.07909 157.0
[M+NH4]+ 222.12369 152.1
[M+K]+ 243.05303 153.5
[M-H]- 203.08259 146.4
[M+Na-2H]- 225.06454 151.2
[M]+ 204.08932 146.8
[M]- 204.09042 146.8
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