CID 6366079

(e)-hex-2-enyl lactate

Structural Information

Molecular Formula
C9H16O3
SMILES
CCC/C=C/COC(=O)C(C)O
InChI
InChI=1S/C9H16O3/c1-3-4-5-6-7-12-9(11)8(2)10/h5-6,8,10H,3-4,7H2,1-2H3/b6-5+
InChIKey
CLRYHPFNHRAPPN-AATRIKPKSA-N
Compound name
[(E)-hex-2-enyl] 2-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

172.10994 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.117216 140.3
[M+Na]+ 195.099158 146.2
[M-H]- 171.102664 138.9
[M+NH4]+ 190.143763 160.1
[M+K]+ 211.073098 145.4
[M+H-H2O]+ 155.107200 135.6
[M+HCOO]- 217.108141 160.8
[M+CH3COO]- 231.123791 178.0
[M+Na-2H]- 193.084606 142.8
[M]+ 172.10939142 142.4
[M]- 172.11048858 142.4
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