CID 23039305

3-(ethylthio)-1-butanol

Structural Information

Molecular Formula
C6H14OS
SMILES
CCSC(C)CCO
InChI
InChI=1S/C6H14OS/c1-3-8-6(2)4-5-7/h6-7H,3-5H2,1-2H3
InChIKey
RNFXBUGJWZOUJT-UHFFFAOYSA-N
Compound name
3-ethylsulfanylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

64
Patents

134.07654 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.083816 128.7
[M+Na]+ 157.065758 135.2
[M-H]- 133.069264 127.8
[M+NH4]+ 152.110363 150.6
[M+K]+ 173.039698 133.9
[M+H-H2O]+ 117.073800 124.2
[M+HCOO]- 179.074741 144.7
[M+CH3COO]- 193.090391 171.3
[M+Na-2H]- 155.051206 130.4
[M]+ 134.07599142 130.9
[M]- 134.07708858 130.9
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