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]+ 213.184906 145.4
[M+Na]+ 235.166848 147.0
[M-H]- 211.170354 149.3
[M+NH4]+ 230.211453 161.4
[M+K]+ 251.140788 151.0
[M+H-H2O]+ 195.174890 140.1
[M+HCOO]- 257.175831 162.4
[M+CH3COO]- 271.191481 191.0
[M+Na-2H]- 233.152296 147.7
[M]+ 212.17708142 141.8
[M]- 212.17817858 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.