CID 135397186

2177264-65-0

Structural Information

Molecular Formula
C10H20N2O3S
SMILES
CC(C)(C)OC(=O)N1CCCS(=N)(=O)CC1
InChI
InChI=1S/C10H20N2O3S/c1-10(2,3)15-9(13)12-5-4-7-16(11,14)8-6-12/h11H,4-8H2,1-3H3
InChIKey
ANFFOJIDNCDHGM-UHFFFAOYSA-N
Compound name
tert-butyl 1-imino-1-oxo-1,4-thiazepane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.11946 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12674 154.1
[M+Na]+ 271.10868 159.6
[M+NH4]+ 266.15328 160.5
[M+K]+ 287.08262 154.6
[M-H]- 247.11218 153.0
[M+Na-2H]- 269.09413 157.7
[M]+ 248.11891 154.8
[M]- 248.12001 154.8
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.