CID 137938

2-monomyristin

Structural Information

Molecular Formula
C17H34O4
SMILES
CCCCCCCCCCCCCC(=O)OC(CO)CO
InChI
InChI=1S/C17H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-16(14-18)15-19/h16,18-19H,2-15H2,1H3
InChIKey
TVIMZSOUQXNWHO-UHFFFAOYSA-N
Compound name
1,3-dihydroxypropan-2-yl tetradecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1397
Patents

302.2457 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.25298 181.5
[M+Na]+ 325.23492 183.0
[M-H]- 301.23842 177.0
[M+NH4]+ 320.27952 195.2
[M+K]+ 341.20886 180.5
[M+H-H2O]+ 285.24296 175.0
[M+HCOO]- 347.24390 197.8
[M+CH3COO]- 361.25955 202.9
[M+Na-2H]- 323.22037 179.2
[M]+ 302.24515 186.8
[M]- 302.24625 186.8
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