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

207
Patents

147.10817 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.11545 132.9
[M+Na]+ 170.09739 139.0
[M-H]- 146.10089 134.6
[M+NH4]+ 165.14199 155.4
[M+K]+ 186.07133 138.8
[M+H-H2O]+ 130.10543 127.3
[M+HCOO]- 192.10637 152.2
[M+CH3COO]- 206.12202 182.6
[M+Na-2H]- 168.08284 135.4
[M]+ 147.10762 137.0
[M]- 147.10872 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