CID 5363291

Cis-3-hexenyl pyruvate

Structural Information

Molecular Formula
C9H14O3
SMILES
CC/C=C\CCOC(=O)C(=O)C
InChI
InChI=1S/C9H14O3/c1-3-4-5-6-7-12-9(11)8(2)10/h4-5H,3,6-7H2,1-2H3/b5-4-
InChIKey
LKNXTZXOBHAYSR-PLNGDYQASA-N
Compound name
[(Z)-hex-3-enyl] 2-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

106
Patents

170.0943 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.101576 137.6
[M+Na]+ 193.083518 144.2
[M-H]- 169.087024 137.7
[M+NH4]+ 188.128123 158.1
[M+K]+ 209.057458 143.8
[M+H-H2O]+ 153.091560 132.8
[M+HCOO]- 215.092501 159.9
[M+CH3COO]- 229.108151 179.8
[M+Na-2H]- 191.068966 140.8
[M]+ 170.09375142 140.9
[M]- 170.09484858 140.9
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