CID 3019038

82010-90-0

Structural Information

Molecular Formula
C7H14OS
SMILES
CC(=C)CCSCCO
InChI
InChI=1S/C7H14OS/c1-7(2)3-5-9-6-4-8/h8H,1,3-6H2,2H3
InChIKey
YQJTVQUVTCIFDD-UHFFFAOYSA-N
Compound name
2-(3-methylbut-3-enylsulfanyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.07654 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.083816 132.0
[M+Na]+ 169.065758 138.3
[M-H]- 145.069264 130.9
[M+NH4]+ 164.110363 153.3
[M+K]+ 185.039698 136.2
[M+H-H2O]+ 129.073800 127.3
[M+HCOO]- 191.074741 147.8
[M+CH3COO]- 205.090391 173.3
[M+Na-2H]- 167.051206 133.2
[M]+ 146.07599142 133.8
[M]- 146.07708858 133.8
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.