CID 122163189

Tert-butyl 3-[(chlorosulfonyl)methyl]azetidine-1-carboxylate

Structural Information

Molecular Formula
C9H16ClNO4S
SMILES
CC(C)(C)OC(=O)N1CC(C1)CS(=O)(=O)Cl
InChI
InChI=1S/C9H16ClNO4S/c1-9(2,3)15-8(12)11-4-7(5-11)6-16(10,13)14/h7H,4-6H2,1-3H3
InChIKey
DIDCZGSOSVAIRP-UHFFFAOYSA-N
Compound name
tert-butyl 3-(chlorosulfonylmethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.04886 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.05614 150.8
[M+Na]+ 292.03808 156.6
[M-H]- 268.04158 152.9
[M+NH4]+ 287.08268 160.9
[M+K]+ 308.01202 157.3
[M+H-H2O]+ 252.04612 140.6
[M+HCOO]- 314.04706 158.4
[M+CH3COO]- 328.06271 193.6
[M+Na-2H]- 290.02353 152.7
[M]+ 269.04831 164.8
[M]- 269.04941 164.8
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.