CID 5364231

Cis-3-hexenyl lactate

Structural Information

Molecular Formula
C9H16O3
SMILES
CC/C=C\CCOC(=O)C(C)O
InChI
InChI=1S/C9H16O3/c1-3-4-5-6-7-12-9(11)8(2)10/h4-5,8,10H,3,6-7H2,1-2H3/b5-4-
InChIKey
NNLLMULULOBXBY-PLNGDYQASA-N
Compound name
[(Z)-hex-3-enyl] 2-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

270
Patents

172.10994 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.11722 140.3
[M+Na]+ 195.09916 146.2
[M-H]- 171.10266 138.9
[M+NH4]+ 190.14376 160.1
[M+K]+ 211.07310 145.4
[M+H-H2O]+ 155.10720 135.6
[M+HCOO]- 217.10814 160.8
[M+CH3COO]- 231.12379 178.0
[M+Na-2H]- 193.08461 142.8
[M]+ 172.10939 142.4
[M]- 172.11049 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

literature stripe

Patent stripe

patents stripe