CID 141710

Pentadecano-1,14-lactone

Structural Information

Molecular Formula
C15H28O2
SMILES
CC1CCCCCCCCCCCCC(=O)O1
InChI
InChI=1S/C15H28O2/c1-14-12-10-8-6-4-2-3-5-7-9-11-13-15(16)17-14/h14H,2-13H2,1H3
InChIKey
LVECZGHBXXYWBO-UHFFFAOYSA-N
Compound name
15-methyl-oxacyclopentadecan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1905
Patents

240.20892 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.21620 157.6
[M+Na]+ 263.19814 158.9
[M-H]- 239.20164 158.8
[M+NH4]+ 258.24274 170.5
[M+K]+ 279.17208 159.2
[M+H-H2O]+ 223.20618 154.8
[M+HCOO]- 285.20712 171.6
[M+CH3COO]- 299.22277 183.9
[M+Na-2H]- 261.18359 158.0
[M]+ 240.20837 146.6
[M]- 240.20947 146.6
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