CID 11812127

Allyl hexenoate

Structural Information

Molecular Formula
C9H14O2
SMILES
CCC/C=C/C(=O)OCC=C
InChI
InChI=1S/C9H14O2/c1-3-5-6-7-9(10)11-8-4-2/h4,6-7H,2-3,5,8H2,1H3/b7-6+
InChIKey
VOLVXFXDLNXTMV-VOTSOKGWSA-N
Compound name
prop-2-enyl (E)-hex-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

32
Patents

154.09938 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.10666 134.5
[M+Na]+ 177.08860 141.3
[M-H]- 153.09210 134.5
[M+NH4]+ 172.13320 155.8
[M+K]+ 193.06254 140.0
[M+H-H2O]+ 137.09664 129.8
[M+HCOO]- 199.09758 157.5
[M+CH3COO]- 213.11323 177.0
[M+Na-2H]- 175.07405 138.9
[M]+ 154.09883 137.0
[M]- 154.09993 137.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe