CID 165533104

Tert-butyl n-[5-(chlorosulfonyl)pentyl]carbamate

Structural Information

Molecular Formula
C10H20ClNO4S
SMILES
CC(C)(C)OC(=O)NCCCCCS(=O)(=O)Cl
InChI
InChI=1S/C10H20ClNO4S/c1-10(2,3)16-9(13)12-7-5-4-6-8-17(11,14)15/h4-8H2,1-3H3,(H,12,13)
InChIKey
FFWMJMJCHZINKD-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-chlorosulfonylpentyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.08017 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.08745 163.1
[M+Na]+ 308.06939 169.3
[M-H]- 284.07289 163.4
[M+NH4]+ 303.11399 180.1
[M+K]+ 324.04333 166.2
[M+H-H2O]+ 268.07743 158.9
[M+HCOO]- 330.07837 174.2
[M+CH3COO]- 344.09402 196.5
[M+Na-2H]- 306.05484 165.6
[M]+ 285.07962 170.5
[M]- 285.08072 170.5
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.