CID 83669412

2-(1,4-oxathian-2-yl)acetic acid

Structural Information

Molecular Formula
C6H10O3S
SMILES
C1CSCC(O1)CC(=O)O
InChI
InChI=1S/C6H10O3S/c7-6(8)3-5-4-10-2-1-9-5/h5H,1-4H2,(H,7,8)
InChIKey
UNUOQPWHUPOJRN-UHFFFAOYSA-N
Compound name
2-(1,4-oxathian-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.03506 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.042336 131.5
[M+Na]+ 185.024278 136.6
[M-H]- 161.027784 133.8
[M+NH4]+ 180.068883 150.3
[M+K]+ 200.998218 136.6
[M+H-H2O]+ 145.032320 126.3
[M+HCOO]- 207.033261 145.0
[M+CH3COO]- 221.048911 170.6
[M+Na-2H]- 183.009726 134.4
[M]+ 162.03451142 129.9
[M]- 162.03560858 129.9
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

No patent data available for this compound.