CID 3051244

Ro 1-5518

Structural Information

Molecular Formula
C10H21N2O2
SMILES
CN(C)C(=O)OC1CCC[N+](C1)(C)C
InChI
InChI=1S/C10H21N2O2/c1-11(2)10(13)14-9-6-5-7-12(3,4)8-9/h9H,5-8H2,1-4H3/q+1
InChIKey
DCHNOAGSWLKFGR-UHFFFAOYSA-N
Compound name
(1,1-dimethylpiperidin-1-ium-3-yl) N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.16031 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.16759 143.4
[M+Na]+ 224.14953 148.5
[M-H]- 200.15303 146.8
[M+NH4]+ 219.19413 163.7
[M+K]+ 240.12347 143.9
[M+H-H2O]+ 184.15757 140.4
[M+HCOO]- 246.15851 162.9
[M+CH3COO]- 260.17416 182.8
[M+Na-2H]- 222.13498 149.6
[M]+ 201.15976 140.7
[M]- 201.16086 140.7
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.