CID 6436368

Propyl (e)-hex-2-enoate

Structural Information

Molecular Formula
C9H16O2
SMILES
CCC/C=C/C(=O)OCCC
InChI
InChI=1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h6-7H,3-5,8H2,1-2H3/b7-6+
InChIKey
YYHOZECIUCTJDJ-VOTSOKGWSA-N
Compound name
propyl (E)-hex-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

156.11504 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.122316 136.2
[M+Na]+ 179.104258 142.8
[M-H]- 155.107764 136.2
[M+NH4]+ 174.148863 157.5
[M+K]+ 195.078198 142.0
[M+H-H2O]+ 139.112300 131.5
[M+HCOO]- 201.113241 159.0
[M+CH3COO]- 215.128891 177.9
[M+Na-2H]- 177.089706 140.6
[M]+ 156.11449142 139.4
[M]- 156.11558858 139.4
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

patents stripe