CID 81453433

2-methylthiolane-2-carbaldehyde

Structural Information

Molecular Formula
C6H10OS
SMILES
CC1(CCCS1)C=O
InChI
InChI=1S/C6H10OS/c1-6(5-7)3-2-4-8-6/h5H,2-4H2,1H3
InChIKey
FLZPPWDYVMPKOX-UHFFFAOYSA-N
Compound name
2-methylthiolane-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

130.04524 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.052516 125.4
[M+Na]+ 153.034458 133.4
[M-H]- 129.037964 129.2
[M+NH4]+ 148.079063 151.6
[M+K]+ 169.008398 132.4
[M+H-H2O]+ 113.042500 121.6
[M+HCOO]- 175.043441 143.8
[M+CH3COO]- 189.059091 167.8
[M+Na-2H]- 151.019906 128.7
[M]+ 130.04469142 125.5
[M]- 130.04578858 125.5
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

patents stripe