CID 11286688

Tert-butyl (2e)-3-cyclopropylprop-2-enoate

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

CC(C)(C)OC(=O)/C=C/C1CC1

InChI

InChI=1S/C10H16O2/c1-10(2,3)12-9(11)7-6-8-4-5-8/h6-8H,4-5H2,1-3H3/b7-6+

InChIKey

CHARVJRVUVPIPW-VOTSOKGWSA-N

Compound name

tert-butyl (E)-3-cyclopropylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 168.11504 Da
Monoisotopic Mass: 2.5
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]+	169.12232	140.3
[M+Na]+	191.10426	151.3
[M+NH4]+	186.14886	148.2
[M+K]+	207.07820	147.9
[M-H]-	167.10776	146.8
[M+Na-2H]-	189.08971	146.6
[M]+	168.11449	144.7
[M]-	168.11559	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe