CID 5352428

(z)-4-hydroxy-6-dodecenoic acid lactone

Structural Information

Molecular Formula
C12H20O2
SMILES
CCCCC/C=C\CC1CCC(=O)O1
InChI
InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h6-7,11H,2-5,8-10H2,1H3/b7-6-
InChIKey
QFXOXDSHNXAFEY-SREVYHEPSA-N
Compound name
5-[(Z)-oct-2-enyl]oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

239
Patents

196.14633 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.15361 147.6
[M+Na]+ 219.13555 153.2
[M-H]- 195.13905 150.8
[M+NH4]+ 214.18015 167.6
[M+K]+ 235.10949 151.9
[M+H-H2O]+ 179.14359 142.2
[M+HCOO]- 241.14453 168.9
[M+CH3COO]- 255.16018 184.0
[M+Na-2H]- 217.12100 150.3
[M]+ 196.14578 148.8
[M]- 196.14688 148.8
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