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

95
Patents

119.07687 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.084146 123.7
[M+Na]+ 142.066088 130.5
[M-H]- 118.069594 124.2
[M+NH4]+ 137.110693 146.6
[M+K]+ 158.040028 129.4
[M+H-H2O]+ 102.074130 118.7
[M+HCOO]- 164.075071 143.1
[M+CH3COO]- 178.090721 172.9
[M+Na-2H]- 140.051536 127.8
[M]+ 119.07632142 125.7
[M]- 119.07741858 125.7
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