CID 107295563

1694942-15-8

Structural Information

Molecular Formula
C7H13NO2S
SMILES
COC(=O)NCC1CCSC1
InChI
InChI=1S/C7H13NO2S/c1-10-7(9)8-4-6-2-3-11-5-6/h6H,2-5H2,1H3,(H,8,9)
InChIKey
VNLNUJWNEMHAQK-UHFFFAOYSA-N
Compound name
methyl N-(thiolan-3-ylmethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.0667 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07398 138.7
[M+Na]+ 198.05592 144.2
[M-H]- 174.05942 141.9
[M+NH4]+ 193.10052 160.7
[M+K]+ 214.02986 143.4
[M+H-H2O]+ 158.06396 133.0
[M+HCOO]- 220.06490 156.9
[M+CH3COO]- 234.08055 177.4
[M+Na-2H]- 196.04137 139.5
[M]+ 175.06615 138.6
[M]- 175.06725 138.6
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.