CID 365614

Nsc633415

Structural Information

Molecular Formula
C14H32N2O4S
SMILES
C(CCCCCCOS(=O)(=O)O)CCCCCNCCN
InChI
InChI=1S/C14H32N2O4S/c15-11-13-16-12-9-7-5-3-1-2-4-6-8-10-14-20-21(17,18)19/h16H,1-15H2,(H,17,18,19)
InChIKey
KWDLWILMACXKTF-UHFFFAOYSA-N
Compound name
12-(2-aminoethylamino)dodecyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.20828 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.21556 177.1
[M+Na]+ 347.19750 178.8
[M-H]- 323.20100 173.5
[M+NH4]+ 342.24210 189.8
[M+K]+ 363.17144 174.9
[M+H-H2O]+ 307.20554 169.6
[M+HCOO]- 369.20648 192.2
[M+CH3COO]- 383.22213 208.5
[M+Na-2H]- 345.18295 177.3
[M]+ 324.20773 182.4
[M]- 324.20883 182.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.