CID 97088

1-propanethiol, 3-(diethylamino)-

Structural Information

Molecular Formula
C7H17NS
SMILES
CCN(CC)CCCS
InChI
InChI=1S/C7H17NS/c1-3-8(4-2)6-5-7-9/h9H,3-7H2,1-2H3
InChIKey
XQFQYOHHVAEHPL-UHFFFAOYSA-N
Compound name
3-(diethylamino)propane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

199
Patents

147.10817 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.115446 132.9
[M+Na]+ 170.097388 139.0
[M-H]- 146.100894 134.6
[M+NH4]+ 165.141993 155.4
[M+K]+ 186.071328 138.8
[M+H-H2O]+ 130.105430 127.3
[M+HCOO]- 192.106371 152.2
[M+CH3COO]- 206.122021 182.6
[M+Na-2H]- 168.082836 135.4
[M]+ 147.10762142 137.0
[M]- 147.10871858 137.0
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