CID 21258059

2-(4,5,6,7-tetrahydro-1h-indazol-3-yl)acetic acid

Structural Information

Molecular Formula
C9H12N2O2
SMILES
C1CCC2=C(C1)C(=NN2)CC(=O)O
InChI
InChI=1S/C9H12N2O2/c12-9(13)5-8-6-3-1-2-4-7(6)10-11-8/h1-5H2,(H,10,11)(H,12,13)
InChIKey
LISZLAMDPIISRU-UHFFFAOYSA-N
Compound name
2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

180.08987 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 139.0
[M+Na]+ 203.07909 145.7
[M-H]- 179.08259 137.7
[M+NH4]+ 198.12369 157.6
[M+K]+ 219.05303 142.5
[M+H-H2O]+ 163.08713 132.4
[M+HCOO]- 225.08807 155.3
[M+CH3COO]- 239.10372 174.8
[M+Na-2H]- 201.06454 142.9
[M]+ 180.08932 134.8
[M]- 180.09042 134.8
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