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
6
Annotation Hits

0
References

320
Patents

128.08372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.