CID 647211

99855-02-4

Structural Information

Molecular Formula
C11H13NO2
SMILES
C1CN(C2=CC=CC=C21)CCC(=O)O
InChI
InChI=1S/C11H13NO2/c13-11(14)6-8-12-7-5-9-3-1-2-4-10(9)12/h1-4H,5-8H2,(H,13,14)
InChIKey
QDQAXSGZAIUCQW-UHFFFAOYSA-N
Compound name
3-(2,3-dihydroindol-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

54
Patents

191.09464 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 141.6
[M+Na]+ 214.083858 148.9
[M-H]- 190.087364 143.2
[M+NH4]+ 209.128463 161.9
[M+K]+ 230.057798 146.0
[M+H-H2O]+ 174.091900 135.4
[M+HCOO]- 236.092841 161.5
[M+CH3COO]- 250.108491 180.2
[M+Na-2H]- 212.069306 146.0
[M]+ 191.09409142 140.8
[M]- 191.09518858 140.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe