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 151.9
[M+Na]+ 271.10868 154.9
[M-H]- 247.11218 154.4
[M+NH4]+ 266.15328 168.3
[M+K]+ 287.08262 158.3
[M+H-H2O]+ 231.11672 145.8
[M+HCOO]- 293.11766 164.1
[M+CH3COO]- 307.13331 191.5
[M+Na-2H]- 269.09413 154.0
[M]+ 248.11891 147.9
[M]- 248.12001 147.9
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.