CID 201387

Ethanethiol, 2-propylamino-

Structural Information

Molecular Formula
C5H13NS
SMILES
CCCNCCS
InChI
InChI=1S/C5H13NS/c1-2-3-6-4-5-7/h6-7H,2-5H2,1H3
InChIKey
RVHUIQSWHPZCCP-UHFFFAOYSA-N
Compound name
2-(propylamino)ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

119.07687 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.08415 124.4
[M+Na]+ 142.06609 134.2
[M+NH4]+ 137.11069 133.7
[M+K]+ 158.04003 125.9
[M-H]- 118.06959 125.6
[M+Na-2H]- 140.05154 128.5
[M]+ 119.07632 126.4
[M]- 119.07742 126.4
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