CID 3040151

51734-07-7

Structural Information

Molecular Formula
C12H27NOS
SMILES
CCCCCSCC(CN(CC)CC)O
InChI
InChI=1S/C12H27NOS/c1-4-7-8-9-15-11-12(14)10-13(5-2)6-3/h12,14H,4-11H2,1-3H3
InChIKey
UWCRALAQPGVOCJ-UHFFFAOYSA-N
Compound name
1-(diethylamino)-3-pentylsulfanylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.18134 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.18862 159.7
[M+Na]+ 256.17056 162.8
[M-H]- 232.17406 158.9
[M+NH4]+ 251.21516 177.8
[M+K]+ 272.14450 161.2
[M+H-H2O]+ 216.17860 153.2
[M+HCOO]- 278.17954 175.0
[M+CH3COO]- 292.19519 197.5
[M+Na-2H]- 254.15601 158.0
[M]+ 233.18079 164.5
[M]- 233.18189 164.5
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

No patent data available for this compound.