CID 5248

Myristyl sulfate

Structural Information

Molecular Formula
C14H30O4S
SMILES
CCCCCCCCCCCCCCOS(=O)(=O)O
InChI
InChI=1S/C14H30O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h2-14H2,1H3,(H,15,16,17)
InChIKey
URLJMZWTXZTZRR-UHFFFAOYSA-N
Compound name
tetradecyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

563
References

20605
Patents

294.1865 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.19378 172.4
[M+Na]+ 317.17572 176.3
[M-H]- 293.17922 169.8
[M+NH4]+ 312.22032 187.6
[M+K]+ 333.14966 172.9
[M+H-H2O]+ 277.18376 166.2
[M+HCOO]- 339.18470 186.4
[M+CH3COO]- 353.20035 198.9
[M+Na-2H]- 315.16117 172.5
[M]+ 294.18595 180.6
[M]- 294.18705 180.6
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