CID 5363400

(z)-pent-2-en-1-yl acetate

Structural Information

Molecular Formula
C7H12O2
SMILES
CC/C=C\COC(=O)C
InChI
InChI=1S/C7H12O2/c1-3-4-5-6-9-7(2)8/h4-5H,3,6H2,1-2H3/b5-4-
InChIKey
WGGJTPQHVFOGPN-PLNGDYQASA-N
Compound name
[(Z)-pent-2-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

60
Patents

128.08372 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 127.7
[M+Na]+ 151.07294 138.0
[M+NH4]+ 146.11754 135.2
[M+K]+ 167.04688 132.4
[M-H]- 127.07644 126.7
[M+Na-2H]- 149.05839 131.1
[M]+ 128.08317 128.6
[M]- 128.08427 128.6
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