CID 18191

Ammonium tridecyl sulfate

Structural Information

Molecular Formula
C13H28O4S
SMILES
CCCCCCCCCCCCCOS(=O)(=O)O
InChI
InChI=1S/C13H28O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16/h2-13H2,1H3,(H,14,15,16)
InChIKey
QTUIJRIDZOSXHJ-UHFFFAOYSA-N
Compound name
tridecyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

3
References

3440
Patents

280.17084 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.17812 168.0
[M+Na]+ 303.16006 172.4
[M-H]- 279.16356 165.7
[M+NH4]+ 298.20466 183.9
[M+K]+ 319.13400 169.3
[M+H-H2O]+ 263.16810 162.1
[M+HCOO]- 325.16904 182.4
[M+CH3COO]- 339.18469 196.0
[M+Na-2H]- 301.14551 168.6
[M]+ 280.17029 175.9
[M]- 280.17139 175.9
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