CID 10329532

121065-74-5

Structural Information

Molecular Formula

C₈H₁₄O₃

SMILES

CC(C)(C)OC(=O)C(=C)CO

InChI

InChI=1S/C8H14O3/c1-6(5-9)7(10)11-8(2,3)4/h9H,1,5H2,2-4H3

InChIKey

SVBJTBWVTZLHIZ-UHFFFAOYSA-N

Compound name

tert-butyl 2-(hydroxymethyl)prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 405
Patents: 158.0943 Da
Monoisotopic Mass: 0.8
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]+	159.101576	134.3
[M+Na]+	181.083518	141.1
[M-H]-	157.087024	133.5
[M+NH4]+	176.128123	154.8
[M+K]+	197.057458	141.0
[M+H-H2O]+	141.091560	130.6
[M+HCOO]-	203.092501	153.7
[M+CH3COO]-	217.108151	175.3
[M+Na-2H]-	179.068966	138.3
[M]+	158.09375142	135.6
[M]-	158.09484858	135.6

Literature stripe

literature stripe

Patent stripe

patents stripe