CID 24692942

1-(ethanesulfonyl)-4-isocyanatopiperidine

Structural Information

Molecular Formula
C8H14N2O3S
SMILES
CCS(=O)(=O)N1CCC(CC1)N=C=O
InChI
InChI=1S/C8H14N2O3S/c1-2-14(12,13)10-5-3-8(4-6-10)9-7-11/h8H,2-6H2,1H3
InChIKey
XYRHASQSDQWRNK-UHFFFAOYSA-N
Compound name
1-ethylsulfonyl-4-isocyanatopiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.07251 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.07979 145.7
[M+Na]+ 241.06173 152.2
[M-H]- 217.06523 148.8
[M+NH4]+ 236.10633 163.5
[M+K]+ 257.03567 150.4
[M+H-H2O]+ 201.06977 139.2
[M+HCOO]- 263.07071 162.0
[M+CH3COO]- 277.08636 186.9
[M+Na-2H]- 239.04718 149.3
[M]+ 218.07196 146.0
[M]- 218.07306 146.0
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.