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
4
Annotation Hits

0
References

310
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 127.3
[M+Na]+ 151.07294 137.8
[M+NH4]+ 146.11754 134.9
[M+K]+ 167.04688 131.5
[M-H]- 127.07644 126.4
[M+Na-2H]- 149.05839 131.1
[M]+ 128.08317 128.3
[M]- 128.08427 128.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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