CID 21134047

1071432-99-9

Structural Information

Molecular Formula
C10H11NO2
SMILES
CN1CCC2=C1C=C(C=C2)C(=O)O
InChI
InChI=1S/C10H11NO2/c1-11-5-4-7-2-3-8(10(12)13)6-9(7)11/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKey
LFRPPHGMTHMKPU-UHFFFAOYSA-N
Compound name
1-methyl-2,3-dihydroindole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

177.07898 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.086256 136.5
[M+Na]+ 200.068198 145.2
[M-H]- 176.071704 138.7
[M+NH4]+ 195.112803 157.7
[M+K]+ 216.042138 142.5
[M+H-H2O]+ 160.076240 130.9
[M+HCOO]- 222.077181 156.8
[M+CH3COO]- 236.092831 178.4
[M+Na-2H]- 198.053646 140.8
[M]+ 177.07843142 135.8
[M]- 177.07952858 135.8
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