CID 5352972

Trans-2-hexenyl formate

Structural Information

Molecular Formula

C₇H₁₂O₂

SMILES

CCC/C=C/COC=O

InChI

InChI=1S/C7H12O2/c1-2-3-4-5-6-9-7-8/h4-5,7H,2-3,6H2,1H3/b5-4+

InChIKey

SLWYMCAVYPZTRN-SNAWJCMRSA-N

Compound name

[(E)-hex-2-enyl] formate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 322
Patents: 128.08372 Da
Monoisotopic Mass: 2.0
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]+	129.09100	126.2
[M+Na]+	151.07294	133.7
[M-H]-	127.07644	126.5
[M+NH4]+	146.11754	148.6
[M+K]+	167.04688	133.1
[M+H-H2O]+	111.08098	121.8
[M+HCOO]-	173.08192	150.7
[M+CH3COO]-	187.09757	171.7
[M+Na-2H]-	149.05839	133.0
[M]+	128.08317	129.4
[M]-	128.08427	129.4

Literature stripe

literature stripe

Patent stripe

patents stripe