CID 18329066

2137450-21-4

Structural Information

Molecular Formula
C10H11NO3
SMILES
COC1=CC=CC2=C1CC(N2)C(=O)O
InChI
InChI=1S/C10H11NO3/c1-14-9-4-2-3-7-6(9)5-8(11-7)10(12)13/h2-4,8,11H,5H2,1H3,(H,12,13)
InChIKey
KUBHJAFGELKXJP-UHFFFAOYSA-N
Compound name
4-methoxy-2,3-dihydro-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

193.0739 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.081176 139.9
[M+Na]+ 216.063118 148.0
[M-H]- 192.066624 140.7
[M+NH4]+ 211.107723 159.7
[M+K]+ 232.037058 145.1
[M+H-H2O]+ 176.071160 134.4
[M+HCOO]- 238.072101 158.9
[M+CH3COO]- 252.087751 178.0
[M+Na-2H]- 214.048566 143.8
[M]+ 193.07335142 138.9
[M]- 193.07444858 138.9
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