CID 107298403

N-[(thiolan-3-yl)methyl]acetamide

Structural Information

Molecular Formula
C7H13NOS
SMILES
CC(=O)NCC1CCSC1
InChI
InChI=1S/C7H13NOS/c1-6(9)8-4-7-2-3-10-5-7/h7H,2-5H2,1H3,(H,8,9)
InChIKey
JDFNRZVSMJZZIY-UHFFFAOYSA-N
Compound name
N-(thiolan-3-ylmethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.0718 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.07908 135.3
[M+Na]+ 182.06102 141.0
[M-H]- 158.06452 138.6
[M+NH4]+ 177.10562 158.0
[M+K]+ 198.03496 139.7
[M+H-H2O]+ 142.06906 129.8
[M+HCOO]- 204.07000 153.3
[M+CH3COO]- 218.08565 176.1
[M+Na-2H]- 180.04647 136.1
[M]+ 159.07125 133.9
[M]- 159.07235 133.9
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.