CID 776416

1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C7H8N2O2
SMILES
C1CC2=C(C1)NN=C2C(=O)O
InChI
InChI=1S/C7H8N2O2/c10-7(11)6-4-2-1-3-5(4)8-9-6/h1-3H2,(H,8,9)(H,10,11)
InChIKey
FCYBBDFUBSEGMX-UHFFFAOYSA-N
Compound name
1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

156
Patents

152.05858 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.06586 130.9
[M+Na]+ 175.04780 139.3
[M-H]- 151.05130 130.5
[M+NH4]+ 170.09240 152.5
[M+K]+ 191.02174 137.0
[M+H-H2O]+ 135.05584 125.1
[M+HCOO]- 197.05678 150.1
[M+CH3COO]- 211.07243 168.9
[M+Na-2H]- 173.03325 134.3
[M]+ 152.05803 128.2
[M]- 152.05913 128.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe