CID 56935983

(z)-7-dodecenyl formate

Structural Information

Molecular Formula
C13H24O2
SMILES
CCCC/C=C\CCCCCCOC=O
InChI
InChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14/h5-6,13H,2-4,7-12H2,1H3/b6-5-
InChIKey
YEVSIQILPVMRDT-WAYWQWQTSA-N
Compound name
[(Z)-dodec-7-enyl] formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

212.17763 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.18491 153.9
[M+Na]+ 235.16685 158.9
[M-H]- 211.17035 153.0
[M+NH4]+ 230.21145 172.9
[M+K]+ 251.14079 156.6
[M+H-H2O]+ 195.17489 148.2
[M+HCOO]- 257.17583 176.3
[M+CH3COO]- 271.19148 189.9
[M+Na-2H]- 233.15230 157.4
[M]+ 212.17708 159.3
[M]- 212.17818 159.3
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