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

25
Patents

193.0739 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08118 139.9
[M+Na]+ 216.06312 148.0
[M-H]- 192.06662 140.7
[M+NH4]+ 211.10772 159.7
[M+K]+ 232.03706 145.1
[M+H-H2O]+ 176.07116 134.4
[M+HCOO]- 238.07210 158.9
[M+CH3COO]- 252.08775 178.0
[M+Na-2H]- 214.04857 143.8
[M]+ 193.07335 138.9
[M]- 193.07445 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