CID 45073772

Methyl indoline-3-carboxylate

Structural Information

Molecular Formula
C10H11NO2
SMILES
COC(=O)C1CNC2=CC=CC=C12
InChI
InChI=1S/C10H11NO2/c1-13-10(12)8-6-11-9-5-3-2-4-7(8)9/h2-5,8,11H,6H2,1H3
InChIKey
QLMBVRCJGIGWBV-UHFFFAOYSA-N
Compound name
methyl 2,3-dihydro-1H-indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

177.07898 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.086256 137.1
[M+Na]+ 200.068198 144.9
[M-H]- 176.071704 139.0
[M+NH4]+ 195.112803 158.1
[M+K]+ 216.042138 142.3
[M+H-H2O]+ 160.076240 131.2
[M+HCOO]- 222.077181 157.4
[M+CH3COO]- 236.092831 176.6
[M+Na-2H]- 198.053646 142.1
[M]+ 177.07843142 135.9
[M]- 177.07952858 135.9
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