CID 3016998

42302-17-0

Structural Information

Molecular Formula
C5H13NS
SMILES
CN(C)CCCS
InChI
InChI=1S/C5H13NS/c1-6(2)4-3-5-7/h7H,3-5H2,1-2H3
InChIKey
HSAYSFNFCZEPCN-UHFFFAOYSA-N
Compound name
3-(dimethylamino)propane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

526
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

literature stripe

Patent stripe

patents stripe