CID 21473735

135149-43-8

Structural Information

Molecular Formula

C₁₀H₁₂O₃S

SMILES

CC(C)(C)OC(=O)C1=CC=C(S1)C=O

InChI

InChI=1S/C10H12O3S/c1-10(2,3)13-9(12)8-5-4-7(6-11)14-8/h4-6H,1-3H3

InChIKey

AXGWEMGJOUIUMX-UHFFFAOYSA-N

Compound name

tert-butyl 5-formylthiophene-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
Patents: 212.05072 Da
Monoisotopic Mass: 2.6
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]+	213.057996	147.1
[M+Na]+	235.039938	155.8
[M-H]-	211.043444	151.5
[M+NH4]+	230.084543	168.6
[M+K]+	251.013878	154.3
[M+H-H2O]+	195.047980	142.4
[M+HCOO]-	257.048921	165.3
[M+CH3COO]-	271.064571	183.4
[M+Na-2H]-	233.025386	148.3
[M]+	212.05017142	152.5
[M]-	212.05126858	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe