CID 3051445

N-(4-hydroxyphenyl)pyridinium chloride dimethylcarbamate (ester)

Structural Information

Molecular Formula
C14H15N2O2
SMILES
CN(C)C(=O)OC1=CC=C(C=C1)[N+]2=CC=CC=C2
InChI
InChI=1S/C14H15N2O2/c1-15(2)14(17)18-13-8-6-12(7-9-13)16-10-4-3-5-11-16/h3-11H,1-2H3/q+1
InChIKey
ZECGAELXQFVMNS-UHFFFAOYSA-N
Compound name
(4-pyridin-1-ium-1-ylphenyl) N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.11336 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.120636 156.2
[M+Na]+ 266.102578 162.8
[M-H]- 242.106084 163.3
[M+NH4]+ 261.147183 172.0
[M+K]+ 282.076518 155.6
[M+H-H2O]+ 226.110620 150.1
[M+HCOO]- 288.111561 180.1
[M+CH3COO]- 302.127211 189.9
[M+Na-2H]- 264.088026 164.2
[M]+ 243.11281142 156.7
[M]- 243.11390858 156.7
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.