CID 23092002

1-methylindoline-5-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

177.07898 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 136.5
[M+Na]+ 200.06820 145.2
[M-H]- 176.07170 138.7
[M+NH4]+ 195.11280 157.7
[M+K]+ 216.04214 142.5
[M+H-H2O]+ 160.07624 130.9
[M+HCOO]- 222.07718 156.8
[M+CH3COO]- 236.09283 178.4
[M+Na-2H]- 198.05365 140.8
[M]+ 177.07843 135.8
[M]- 177.07953 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