CID 74706

1912-33-0

Structural Information

Molecular Formula
C11H11NO2
SMILES
COC(=O)CC1=CNC2=CC=CC=C21
InChI
InChI=1S/C11H11NO2/c1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,12H,6H2,1H3
InChIKey
KTHADMDGDNYQRX-UHFFFAOYSA-N
Compound name
methyl 2-(1H-indol-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

8
References

714
Patents

189.07898 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 139.3
[M+Na]+ 212.06820 152.1
[M+NH4]+ 207.11280 147.6
[M+K]+ 228.04214 147.6
[M-H]- 188.07170 140.3
[M+Na-2H]- 210.05365 145.4
[M]+ 189.07843 141.3
[M]- 189.07953 141.3
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