CID 215961

(l)-2-((5-(p-menth-3-yloxy)pentyl)amino)ethanethiol, hydrogen sulfate (ester)

Structural Information

Molecular Formula
C17H35NO4S2
SMILES
C[C@@H]1CC[C@@H]([C@@H](C1)OCCCCCNCCSS(=O)(=O)O)C(C)C
InChI
InChI=1S/C17H35NO4S2/c1-14(2)16-8-7-15(3)13-17(16)22-11-6-4-5-9-18-10-12-23-24(19,20)21/h14-18H,4-13H2,1-3H3,(H,19,20,21)/t15-,16-,17-/m1/s1
InChIKey
RWLZSOAYWIGQQZ-BRWVUGGUSA-N
Compound name
(1R,2R,4R)-4-methyl-1-propan-2-yl-2-[5-(2-sulfosulfanylethylamino)pentoxy]cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.20074 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.20802 189.1
[M+Na]+ 404.18996 193.3
[M+NH4]+ 399.23456 194.0
[M+K]+ 420.16390 185.6
[M-H]- 380.19346 188.0
[M+Na-2H]- 402.17541 188.3
[M]+ 381.20019 189.8
[M]- 381.20129 189.8
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.