CID 2733920

79815-20-6

Structural Information

Molecular Formula
C9H9NO2
SMILES
C1[C@H](NC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C9H9NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-4,8,10H,5H2,(H,11,12)/t8-/m0/s1
InChIKey
QNRXNRGSOJZINA-QMMMGPOBSA-N
Compound name
(2S)-2,3-dihydro-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

6718
Patents

163.06332 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 133.1
[M+Na]+ 186.05254 143.9
[M+NH4]+ 181.09714 141.3
[M+K]+ 202.02648 140.6
[M-H]- 162.05604 133.3
[M+Na-2H]- 184.03799 137.3
[M]+ 163.06277 134.4
[M]- 163.06387 134.4
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