CID 122155626

Tert-butyl 3-sulfamoylazetidine-1-carboxylate

Structural Information

Molecular Formula
C8H16N2O4S
SMILES
CC(C)(C)OC(=O)N1CC(C1)S(=O)(=O)N
InChI
InChI=1S/C8H16N2O4S/c1-8(2,3)14-7(11)10-4-6(5-10)15(9,12)13/h6H,4-5H2,1-3H3,(H2,9,12,13)
InChIKey
YZLQZMKZXQYGOJ-UHFFFAOYSA-N
Compound name
tert-butyl 3-sulfamoylazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

236.08308 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.09036 151.4
[M+Na]+ 259.07230 155.4
[M-H]- 235.07580 152.6
[M+NH4]+ 254.11690 160.9
[M+K]+ 275.04624 157.9
[M+H-H2O]+ 219.08034 139.3
[M+HCOO]- 281.08128 163.4
[M+CH3COO]- 295.09693 191.3
[M+Na-2H]- 257.05775 152.7
[M]+ 236.08253 161.3
[M]- 236.08363 161.3
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

patents stripe