CID 56936020

3z-hexenyl 2r-hydroxy-3-methylbutyrate

Structural Information

Molecular Formula
C11H20O3
SMILES
CC/C=C\CCOC(=O)[C@@H](C(C)C)O
InChI
InChI=1S/C11H20O3/c1-4-5-6-7-8-14-11(13)10(12)9(2)3/h5-6,9-10,12H,4,7-8H2,1-3H3/b6-5-/t10-/m1/s1
InChIKey
DGPCWWZIQGEZER-WWQCOOJYSA-N
Compound name
[(Z)-hex-3-enyl] (2R)-2-hydroxy-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

200.14125 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.14853 149.7
[M+Na]+ 223.13047 154.6
[M-H]- 199.13397 148.1
[M+NH4]+ 218.17507 168.3
[M+K]+ 239.10441 153.7
[M+H-H2O]+ 183.13851 144.7
[M+HCOO]- 245.13945 168.6
[M+CH3COO]- 259.15510 184.9
[M+Na-2H]- 221.11592 149.9
[M]+ 200.14070 151.9
[M]- 200.14180 151.9
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