CID 155820369

3-methyl-4-(methylsulfanyl)but-2-en-1-ol

Structural Information

Molecular Formula
C6H12OS
SMILES
C/C(=C\CO)/CSC
InChI
InChI=1S/C6H12OS/c1-6(3-4-7)5-8-2/h3,7H,4-5H2,1-2H3/b6-3+
InChIKey
YXNSOSRPMRZPLP-ZZXKWVIFSA-N
Compound name
(E)-3-methyl-4-methylsulfanylbut-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

132.06088 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.068156 127.7
[M+Na]+ 155.050098 134.6
[M-H]- 131.053604 126.8
[M+NH4]+ 150.094703 149.6
[M+K]+ 171.024038 132.7
[M+H-H2O]+ 115.058140 123.3
[M+HCOO]- 177.059081 143.8
[M+CH3COO]- 191.074731 169.6
[M+Na-2H]- 153.035546 129.4
[M]+ 132.06033142 129.1
[M]- 132.06142858 129.1
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.