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]+ 244.12064 156.2
[M+Na]+ 266.10258 162.8
[M-H]- 242.10608 163.3
[M+NH4]+ 261.14718 172.0
[M+K]+ 282.07652 155.6
[M+H-H2O]+ 226.11062 150.1
[M+HCOO]- 288.11156 180.1
[M+CH3COO]- 302.12721 189.9
[M+Na-2H]- 264.08803 164.2
[M]+ 243.11281 156.7
[M]- 243.11391 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.