CID 3051254

Ro 2-0546

Structural Information

Molecular Formula
C15H23N2O2
SMILES
CN(C)C(=O)OC1=CC=C(C=C1)[N+]2(CCCCC2)C
InChI
InChI=1S/C15H23N2O2/c1-16(2)15(18)19-14-9-7-13(8-10-14)17(3)11-5-4-6-12-17/h7-10H,4-6,11-12H2,1-3H3/q+1
InChIKey
ZJAWTEHMGZRNQK-UHFFFAOYSA-N
Compound name
[4-(1-methylpiperidin-1-ium-1-yl)phenyl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.17596 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.18324 161.5
[M+Na]+ 286.16518 165.5
[M-H]- 262.16868 167.5
[M+NH4]+ 281.20978 178.6
[M+K]+ 302.13912 158.9
[M+H-H2O]+ 246.17322 156.1
[M+HCOO]- 308.17416 180.6
[M+CH3COO]- 322.18981 193.4
[M+Na-2H]- 284.15063 167.3
[M]+ 263.17541 158.0
[M]- 263.17651 158.0
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.