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 137.4
[M+Na]+ 189.06345 147.8
[M-H]- 165.06695 140.3
[M+NH4]+ 184.10805 152.7
[M+K]+ 205.03739 144.2
[M+H-H2O]+ 149.07149 131.6
[M+HCOO]- 211.07243 157.1
[M+CH3COO]- 225.08808 175.5
[M+Na-2H]- 187.04890 142.1
[M]+ 166.07368 138.4
[M]- 166.07478 138.4
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.