CID 138987603

2305255-79-0

Structural Information

Molecular Formula
C11H23N3O3S
SMILES
CC(C)(C)OC(=O)N1CCCN(CC1)S(=N)(=O)C
InChI
InChI=1S/C11H23N3O3S/c1-11(2,3)17-10(15)13-6-5-7-14(9-8-13)18(4,12)16/h12H,5-9H2,1-4H3
InChIKey
WOQIAPATHKCQAI-UHFFFAOYSA-N
Compound name
tert-butyl 4-(methylsulfonimidoyl)-1,4-diazepane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.14603 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.15331 160.9
[M+Na]+ 300.13525 163.4
[M-H]- 276.13875 162.2
[M+NH4]+ 295.17985 173.3
[M+K]+ 316.10919 167.1
[M+H-H2O]+ 260.14329 153.2
[M+HCOO]- 322.14423 170.4
[M+CH3COO]- 336.15988 197.8
[M+Na-2H]- 298.12070 162.3
[M]+ 277.14548 157.0
[M]- 277.14658 157.0
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.