CID 216043

37018-33-0

Structural Information

Molecular Formula
C14H29NO3S2
SMILES
C1CCCCCC(CCCCC1)NCCSS(=O)(=O)O
InChI
InChI=1S/C14H29NO3S2/c16-20(17,18)19-13-12-15-14-10-8-6-4-2-1-3-5-7-9-11-14/h14-15H,1-13H2,(H,16,17,18)
InChIKey
ZGSIHLYVXVPDJK-UHFFFAOYSA-N
Compound name
(2-sulfosulfanylethylamino)cyclododecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.15887 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.16615 172.3
[M+Na]+ 346.14809 172.9
[M-H]- 322.15159 169.7
[M+NH4]+ 341.19269 182.8
[M+K]+ 362.12203 169.1
[M+H-H2O]+ 306.15613 169.2
[M+HCOO]- 368.15707 176.7
[M+CH3COO]- 382.17272 195.3
[M+Na-2H]- 344.13354 170.6
[M]+ 323.15832 164.6
[M]- 323.15942 164.6
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.