CID 2764519

57476-50-3

Structural Information

Molecular Formula

C₁₄H₁₅NO₃

SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C=O

InChI

InChI=1S/C14H15NO3/c1-14(2,3)18-13(17)15-8-10(9-16)11-6-4-5-7-12(11)15/h4-9H,1-3H3

InChIKey

GDYHUGFAKMUUQL-UHFFFAOYSA-N

Compound name

tert-butyl 3-formylindole-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 191
Patents: 245.1052 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	246.11248	155.1
[M+Na]+	268.09442	165.3
[M-H]-	244.09792	159.3
[M+NH4]+	263.13902	174.7
[M+K]+	284.06836	162.8
[M+H-H2O]+	228.10246	149.2
[M+HCOO]-	290.10340	177.3
[M+CH3COO]-	304.11905	192.0
[M+Na-2H]-	266.07987	160.6
[M]+	245.10465	160.7
[M]-	245.10575	160.7

Literature stripe

literature stripe

Patent stripe

patents stripe