CID 64592199

1342547-91-4

Structural Information

Molecular Formula
C10H14N2O2
SMILES
CC1(CCC2=C(C1)C(=NN2)C(=O)O)C
InChI
InChI=1S/C10H14N2O2/c1-10(2)4-3-7-6(5-10)8(9(13)14)12-11-7/h3-5H2,1-2H3,(H,11,12)(H,13,14)
InChIKey
ISMDTJILBJJLPA-UHFFFAOYSA-N
Compound name
5,5-dimethyl-1,4,6,7-tetrahydroindazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

194.10553 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.11281 143.2
[M+Na]+ 217.09475 151.4
[M-H]- 193.09825 142.5
[M+NH4]+ 212.13935 163.6
[M+K]+ 233.06869 148.2
[M+H-H2O]+ 177.10279 137.5
[M+HCOO]- 239.10373 159.1
[M+CH3COO]- 253.11938 178.6
[M+Na-2H]- 215.08020 147.0
[M]+ 194.10498 140.1
[M]- 194.10608 140.1
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