CID 210284

Brn 3058340

Structural Information

Molecular Formula
C14H29NO3S2
SMILES
C1CCC(C1)CCCCCCCNCCSS(=O)(=O)O
InChI
InChI=1S/C14H29NO3S2/c16-20(17,18)19-13-12-15-11-7-3-1-2-4-8-14-9-5-6-10-14/h14-15H,1-13H2,(H,16,17,18)
InChIKey
AUYGGAVPNCGUSB-UHFFFAOYSA-N
Compound name
7-(2-sulfosulfanylethylamino)heptylcyclopentane
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 177.1
[M+Na]+ 346.14809 179.7
[M-H]- 322.15159 176.9
[M+NH4]+ 341.19269 192.4
[M+K]+ 362.12203 174.4
[M+H-H2O]+ 306.15613 170.7
[M+HCOO]- 368.15707 185.9
[M+CH3COO]- 382.17272 202.5
[M+Na-2H]- 344.13354 175.0
[M]+ 323.15832 179.5
[M]- 323.15942 179.5
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

patents stripe