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]+ 249.126736 151.9
[M+Na]+ 271.108678 154.9
[M-H]- 247.112184 154.4
[M+NH4]+ 266.153283 168.3
[M+K]+ 287.082618 158.3
[M+H-H2O]+ 231.116720 145.8
[M+HCOO]- 293.117661 164.1
[M+CH3COO]- 307.133311 191.5
[M+Na-2H]- 269.094126 154.0
[M]+ 248.11891142 147.9
[M]- 248.12000858 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.