CID 62699

2-hydroxyethyl laurate

Structural Information

Molecular Formula
C14H28O3
SMILES
CCCCCCCCCCCC(=O)OCCO
InChI
InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-14(16)17-13-12-15/h15H,2-13H2,1H3
InChIKey
CTXGTHVAWRBISV-UHFFFAOYSA-N
Compound name
2-hydroxyethyl dodecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

6254
Patents

244.20384 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.21112 164.4
[M+Na]+ 267.19306 167.9
[M-H]- 243.19656 161.8
[M+NH4]+ 262.23766 181.2
[M+K]+ 283.16700 165.9
[M+H-H2O]+ 227.20110 158.3
[M+HCOO]- 289.20204 183.9
[M+CH3COO]- 303.21769 193.8
[M+Na-2H]- 265.17851 165.4
[M]+ 244.20329 169.7
[M]- 244.20439 169.7
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