CID 20200190

63210-55-9

Structural Information

Molecular Formula
C5H13NS
SMILES
CCN(C)CCS
InChI
InChI=1S/C5H13NS/c1-3-6(2)4-5-7/h7H,3-5H2,1-2H3
InChIKey
SCHGEURGNDMPPN-UHFFFAOYSA-N
Compound name
2-[ethyl(methyl)amino]ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

119.07687 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.08415 123.9
[M+Na]+ 142.06609 130.8
[M-H]- 118.06959 126.0
[M+NH4]+ 137.11069 147.5
[M+K]+ 158.04003 131.2
[M+H-H2O]+ 102.07413 118.7
[M+HCOO]- 164.07507 143.8
[M+CH3COO]- 178.09072 176.5
[M+Na-2H]- 140.05154 127.4
[M]+ 119.07632 127.3
[M]- 119.07742 127.3
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