CID 72212613

Tert-butyl n-[3-(chlorosulfonyl)propyl]carbamate

Structural Information

Molecular Formula
C8H16ClNO4S
SMILES
CC(C)(C)OC(=O)NCCCS(=O)(=O)Cl
InChI
InChI=1S/C8H16ClNO4S/c1-8(2,3)14-7(11)10-5-4-6-15(9,12)13/h4-6H2,1-3H3,(H,10,11)
InChIKey
OMSPDJMNLOWPPG-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-chlorosulfonylpropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

257.04886 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.05614 154.1
[M+Na]+ 280.03808 161.2
[M-H]- 256.04158 154.8
[M+NH4]+ 275.08268 172.2
[M+K]+ 296.01202 158.6
[M+H-H2O]+ 240.04612 150.3
[M+HCOO]- 302.04706 165.8
[M+CH3COO]- 316.06271 190.5
[M+Na-2H]- 278.02353 157.6
[M]+ 257.04831 160.8
[M]- 257.04941 160.8
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

patents stripe