CID 24710674

2-[(2-methylprop-2-en-1-yl)sulfanyl]acetic acid

Structural Information

Molecular Formula
C6H10O2S
SMILES
CC(=C)CSCC(=O)O
InChI
InChI=1S/C6H10O2S/c1-5(2)3-9-4-6(7)8/h1,3-4H2,2H3,(H,7,8)
InChIKey
ZJWLYGJIHCBEQW-UHFFFAOYSA-N
Compound name
2-(2-methylprop-2-enylsulfanyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

146.04015 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.04743 129.9
[M+Na]+ 169.02937 136.6
[M-H]- 145.03287 129.0
[M+NH4]+ 164.07397 151.0
[M+K]+ 185.00331 135.0
[M+H-H2O]+ 129.03741 125.4
[M+HCOO]- 191.03835 145.5
[M+CH3COO]- 205.05400 172.2
[M+Na-2H]- 167.01482 130.6
[M]+ 146.03960 131.5
[M]- 146.04070 131.5
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.