CID 83858867

En300-1776074

Structural Information

Molecular Formula
C8H10N2O2
SMILES
C1CC2=C(C1)NN=C2CC(=O)O
InChI
InChI=1S/C8H10N2O2/c11-8(12)4-7-5-2-1-3-6(5)9-10-7/h1-4H2,(H,9,10)(H,11,12)
InChIKey
SWVRCRPPYAFENC-UHFFFAOYSA-N
Compound name
2-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.07423 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 135.5
[M+Na]+ 189.06345 143.4
[M-H]- 165.06695 134.9
[M+NH4]+ 184.10805 156.5
[M+K]+ 205.03739 140.9
[M+H-H2O]+ 149.07149 129.5
[M+HCOO]- 211.07243 154.3
[M+CH3COO]- 225.08808 171.9
[M+Na-2H]- 187.04890 138.3
[M]+ 166.07368 133.2
[M]- 166.07478 133.2
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.