CID 19046419

5-aminopentane-1-thiol

Structural Information

Molecular Formula
C5H13NS
SMILES
C(CCN)CCS
InChI
InChI=1S/C5H13NS/c6-4-2-1-3-5-7/h7H,1-6H2
InChIKey
DXEUCMHRAHWVEF-UHFFFAOYSA-N
Compound name
5-aminopentane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

500
Patents

119.07687 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.08415 124.0
[M+Na]+ 142.06609 130.8
[M-H]- 118.06959 123.9
[M+NH4]+ 137.11069 146.6
[M+K]+ 158.04003 129.3
[M+H-H2O]+ 102.07413 119.0
[M+HCOO]- 164.07507 142.8
[M+CH3COO]- 178.09072 172.2
[M+Na-2H]- 140.05154 127.1
[M]+ 119.07632 125.0
[M]- 119.07742 125.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe