CID 70375

2-cyclooctylaminoethanethiol hydrogen sulfate (ester)

Structural Information

Molecular Formula
C10H21NO3S2
SMILES
C1CCCC(CCC1)NCCSS(=O)(=O)O
InChI
InChI=1S/C10H21NO3S2/c12-16(13,14)15-9-8-11-10-6-4-2-1-3-5-7-10/h10-11H,1-9H2,(H,12,13,14)
InChIKey
YDVWJKCVMAVQFZ-UHFFFAOYSA-N
Compound name
(2-sulfosulfanylethylamino)cyclooctane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.09628 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10356 149.9
[M+Na]+ 290.08550 153.3
[M-H]- 266.08900 150.5
[M+NH4]+ 285.13010 157.2
[M+K]+ 306.05944 152.5
[M+H-H2O]+ 250.09354 146.6
[M+HCOO]- 312.09448 153.8
[M+CH3COO]- 326.11013 225.5
[M+Na-2H]- 288.07095 149.2
[M]+ 267.09573 149.0
[M]- 267.09683 149.0
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.