CID 10375901

(6r,10s)-10-methyl-6-dodecanolide

Structural Information

Molecular Formula
C13H24O2
SMILES
CC[C@H](C)CCC[C@H]1CCCCC(=O)O1
InChI
InChI=1S/C13H24O2/c1-3-11(2)7-6-9-12-8-4-5-10-13(14)15-12/h11-12H,3-10H2,1-2H3/t11-,12+/m0/s1
InChIKey
FWCJVEHVQQNKBH-NWDGAFQWSA-N
Compound name
(7R)-7-[(4S)-4-methylhexyl]oxepan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

212.17763 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.18491 145.4
[M+Na]+ 235.16685 147.0
[M-H]- 211.17035 149.3
[M+NH4]+ 230.21145 161.4
[M+K]+ 251.14079 151.0
[M+H-H2O]+ 195.17489 140.1
[M+HCOO]- 257.17583 162.4
[M+CH3COO]- 271.19148 191.0
[M+Na-2H]- 233.15230 147.7
[M]+ 212.17708 141.8
[M]- 212.17818 141.8
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

No patent data available for this compound.