CID 151161

2-(decylthio)ethanamine hydrochloride

Structural Information

Molecular Formula
C12H27NS
SMILES
CCCCCCCCCCSCCN
InChI
InChI=1S/C12H27NS/c1-2-3-4-5-6-7-8-9-11-14-12-10-13/h2-13H2,1H3
InChIKey
OIWXLVBZDMAARO-UHFFFAOYSA-N
Compound name
2-decylsulfanylethanamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

888
Patents

217.18642 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.19370 154.5
[M+Na]+ 240.17564 158.4
[M-H]- 216.17914 153.1
[M+NH4]+ 235.22024 173.3
[M+K]+ 256.14958 155.0
[M+H-H2O]+ 200.18368 148.2
[M+HCOO]- 262.18462 171.2
[M+CH3COO]- 276.20027 193.3
[M+Na-2H]- 238.16109 154.2
[M]+ 217.18587 158.2
[M]- 217.18697 158.2
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