CID 43828388

3-methyl-4,5,6,7-tetrahydro-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C10H13NO2
SMILES
CC1=C(NC2=C1CCCC2)C(=O)O
InChI
InChI=1S/C10H13NO2/c1-6-7-4-2-3-5-8(7)11-9(6)10(12)13/h11H,2-5H2,1H3,(H,12,13)
InChIKey
XYWSZIDFXHKQID-UHFFFAOYSA-N
Compound name
3-methyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

179.09464 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 138.8
[M+Na]+ 202.08386 148.9
[M+NH4]+ 197.12846 146.7
[M+K]+ 218.05780 145.7
[M-H]- 178.08736 138.8
[M+Na-2H]- 200.06931 141.6
[M]+ 179.09409 139.9
[M]- 179.09519 139.9
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