CID 3237757

(3-methyl-1h-indazol-1-yl)acetic acid

Structural Information

Molecular Formula
C10H10N2O2
SMILES
CC1=NN(C2=CC=CC=C12)CC(=O)O
InChI
InChI=1S/C10H10N2O2/c1-7-8-4-2-3-5-9(8)12(11-7)6-10(13)14/h2-5H,6H2,1H3,(H,13,14)
InChIKey
LFDOOTGCEZRKSA-UHFFFAOYSA-N
Compound name
2-(3-methylindazol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

29
Patents

190.07423 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.081506 138.4
[M+Na]+ 213.063448 149.1
[M-H]- 189.066954 139.9
[M+NH4]+ 208.108053 157.9
[M+K]+ 229.037388 145.9
[M+H-H2O]+ 173.071490 131.7
[M+HCOO]- 235.072431 160.2
[M+CH3COO]- 249.088081 180.6
[M+Na-2H]- 211.048896 144.5
[M]+ 190.07368142 141.1
[M]- 190.07477858 141.1
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