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
4
Annotation Hits

0
References

80
Patents

134.07654 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.08382 128.7
[M+Na]+ 157.06576 135.2
[M-H]- 133.06926 127.8
[M+NH4]+ 152.11036 150.6
[M+K]+ 173.03970 133.9
[M+H-H2O]+ 117.07380 124.2
[M+HCOO]- 179.07474 144.7
[M+CH3COO]- 193.09039 171.3
[M+Na-2H]- 155.05121 130.4
[M]+ 134.07599 130.9
[M]- 134.07709 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