CID 6443231

9z-dodecen-7-ynyl acetate

Structural Information

Molecular Formula
C14H22O2
SMILES
CC/C=C\C#CCCCCCCOC(=O)C
InChI
InChI=1S/C14H22O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h4-5H,3,8-13H2,1-2H3/b5-4-
InChIKey
SXWXADDOSOYZMO-PLNGDYQASA-N
Compound name
[(Z)-dodec-9-en-7-ynyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

222.16199 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.16927 152.2
[M+Na]+ 245.15121 159.7
[M-H]- 221.15471 151.2
[M+NH4]+ 240.19581 169.0
[M+K]+ 261.12515 156.4
[M+H-H2O]+ 205.15925 140.9
[M+HCOO]- 267.16019 168.3
[M+CH3COO]- 281.17584 197.2
[M+Na-2H]- 243.13666 153.9
[M]+ 222.16144 151.0
[M]- 222.16254 151.0
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