CID 84656909

1-methyl-4,5,6,7-tetrahydro-1h-indole-4-carboxylicacid

Structural Information

Molecular Formula
C10H13NO2
SMILES
CN1C=CC2=C1CCCC2C(=O)O
InChI
InChI=1S/C10H13NO2/c1-11-6-5-7-8(10(12)13)3-2-4-9(7)11/h5-6,8H,2-4H2,1H3,(H,12,13)
InChIKey
XNFMENCWGFRRHW-UHFFFAOYSA-N
Compound name
1-methyl-4,5,6,7-tetrahydroindole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

179.09464 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 138.3
[M+Na]+ 202.08386 145.9
[M-H]- 178.08736 140.1
[M+NH4]+ 197.12846 159.3
[M+K]+ 218.05780 143.5
[M+H-H2O]+ 162.09190 132.7
[M+HCOO]- 224.09284 157.1
[M+CH3COO]- 238.10849 178.8
[M+Na-2H]- 200.06931 141.6
[M]+ 179.09409 136.2
[M]- 179.09519 136.2
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