CID 166337

72845-37-5

Structural Information

Molecular Formula

C₇H₁₂O₂

SMILES

CC=C(C)CCOC=O

InChI

InChI=1S/C7H12O2/c1-3-7(2)4-5-9-6-8/h3,6H,4-5H2,1-2H3

InChIKey

MVEQBILLHRZAJK-UHFFFAOYSA-N

Compound name

3-methylpent-3-enyl formate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 39
Patents: 128.08372 Da
Monoisotopic Mass: 2.1
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]+	129.090996	126.6
[M+Na]+	151.072938	133.9
[M-H]-	127.076444	127.0
[M+NH4]+	146.117543	148.9
[M+K]+	167.046878	133.7
[M+H-H2O]+	111.080980	122.2
[M+HCOO]-	173.081921	150.1
[M+CH3COO]-	187.097571	172.5
[M+Na-2H]-	149.058386	132.1
[M]+	128.08317142	129.1
[M]-	128.08426858	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe