CID 139597895

Ns00005340

Structural Information

Molecular Formula
C15H26O2
SMILES
CC1CC=CCCCCCCCCC(=O)OC1
InChI
InChI=1S/C15H26O2/c1-14-11-9-7-5-3-2-4-6-8-10-12-15(16)17-13-14/h7,9,14H,2-6,8,10-13H2,1H3
InChIKey
XSWHYGIUTGKKDX-UHFFFAOYSA-N
Compound name
14-methyl-1-oxacyclopentadec-11-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.19328 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.200556 155.6
[M+Na]+ 261.182498 157.9
[M-H]- 237.186004 157.2
[M+NH4]+ 256.227103 168.7
[M+K]+ 277.156438 158.0
[M+H-H2O]+ 221.190540 152.8
[M+HCOO]- 283.191481 171.1
[M+CH3COO]- 297.207131 183.5
[M+Na-2H]- 259.167946 157.1
[M]+ 238.19273142 146.0
[M]- 238.19382858 146.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.