CID 10016749

Muricatacin

Structural Information

Molecular Formula
C17H32O3
SMILES
CCCCCCCCCCCCC(C1CCC(=O)O1)O
InChI
InChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-15(18)16-13-14-17(19)20-16/h15-16,18H,2-14H2,1H3
InChIKey
VFLQJBVJJLGBKM-UHFFFAOYSA-N
Compound name
5-(1-hydroxytridecyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

8
Patents

284.23514 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.24242 176.2
[M+Na]+ 307.22436 178.4
[M-H]- 283.22786 176.9
[M+NH4]+ 302.26896 191.6
[M+K]+ 323.19830 176.4
[M+H-H2O]+ 267.23240 169.7
[M+HCOO]- 329.23334 193.2
[M+CH3COO]- 343.24899 200.7
[M+Na-2H]- 305.20981 174.4
[M]+ 284.23459 178.8
[M]- 284.23569 178.8
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

patents stripe