CID 137964679

2740627-72-7

Structural Information

Molecular Formula
C8H10N2O2
SMILES
CC1(CC1)C2=CC(=NN2)C(=O)O
InChI
InChI=1S/C8H10N2O2/c1-8(2-3-8)6-4-5(7(11)12)9-10-6/h4H,2-3H2,1H3,(H,9,10)(H,11,12)
InChIKey
DOAAKFSMMZRYGK-UHFFFAOYSA-N
Compound name
5-(1-methylcyclopropyl)-1H-pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.07423 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 139.2
[M+Na]+ 189.06345 150.9
[M+NH4]+ 184.10805 147.9
[M+K]+ 205.03739 148.0
[M-H]- 165.06695 146.1
[M+Na-2H]- 187.04890 147.7
[M]+ 166.07368 143.8
[M]- 166.07478 143.8
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

No patent data available for this compound.