CID 177798226

Methyl (2s)-1-(prop-2-yn-1-yl)-2,3-dihydro-1h-indole-2-carboxylate

Structural Information

Molecular Formula
C13H13NO2
SMILES
COC(=O)[C@@H]1CC2=CC=CC=C2N1CC#C
InChI
InChI=1S/C13H13NO2/c1-3-8-14-11-7-5-4-6-10(11)9-12(14)13(15)16-2/h1,4-7,12H,8-9H2,2H3/t12-/m0/s1
InChIKey
YHQIAOWEENCDGS-LBPRGKRZSA-N
Compound name
methyl (2S)-1-prop-2-ynyl-2,3-dihydroindole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.09464 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.101916 149.0
[M+Na]+ 238.083858 159.8
[M-H]- 214.087364 150.3
[M+NH4]+ 233.128463 167.0
[M+K]+ 254.057798 154.1
[M+H-H2O]+ 198.091900 136.4
[M+HCOO]- 260.092841 164.2
[M+CH3COO]- 274.108491 195.1
[M+Na-2H]- 236.069306 151.2
[M]+ 215.09409142 144.8
[M]- 215.09518858 144.8
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

No patent data available for this compound.