CID 3019941

1h-indol-2-yl propionate

Structural Information

Molecular Formula
C11H11NO2
SMILES
CCC(=O)OC1=CC2=CC=CC=C2N1
InChI
InChI=1S/C11H11NO2/c1-2-11(13)14-10-7-8-5-3-4-6-9(8)12-10/h3-7,12H,2H2,1H3
InChIKey
DWBHSHDNGDFNFA-UHFFFAOYSA-N
Compound name
1H-indol-2-yl propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

189.07898 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.086256 139.0
[M+Na]+ 212.068198 148.5
[M-H]- 188.071704 141.5
[M+NH4]+ 207.112803 159.7
[M+K]+ 228.042138 145.2
[M+H-H2O]+ 172.076240 132.9
[M+HCOO]- 234.077181 161.9
[M+CH3COO]- 248.092831 179.0
[M+Na-2H]- 210.053646 145.4
[M]+ 189.07843142 141.1
[M]- 189.07952858 141.1
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