CID 57535461

Tert-butyl 1-formylcyclopropane-1-carboxylate

Structural Information

Molecular Formula

C₉H₁₄O₃

SMILES

CC(C)(C)OC(=O)C1(CC1)C=O

InChI

InChI=1S/C9H14O3/c1-8(2,3)12-7(11)9(6-10)4-5-9/h6H,4-5H2,1-3H3

InChIKey

BFRXFYLTDGXBMV-UHFFFAOYSA-N

Compound name

tert-butyl 1-formylcyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 170.0943 Da
Monoisotopic Mass: 1.1
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]+	171.10158	138.3
[M+Na]+	193.08352	147.7
[M-H]-	169.08702	143.3
[M+NH4]+	188.12812	156.0
[M+K]+	209.05746	147.2
[M+H-H2O]+	153.09156	134.4
[M+HCOO]-	215.09250	159.6
[M+CH3COO]-	229.10815	181.5
[M+Na-2H]-	191.06897	145.0
[M]+	170.09375	144.0
[M]-	170.09485	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe