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]+ 176.073976 138.7
[M+Na]+ 198.055918 144.2
[M-H]- 174.059424 141.9
[M+NH4]+ 193.100523 160.7
[M+K]+ 214.029858 143.4
[M+H-H2O]+ 158.063960 133.0
[M+HCOO]- 220.064901 156.9
[M+CH3COO]- 234.080551 177.4
[M+Na-2H]- 196.041366 139.5
[M]+ 175.06615142 138.6
[M]- 175.06724858 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.