CID 3051410

Dtxsid60986755

Structural Information

Molecular Formula
C13H15N2O2
SMILES
C[N+]1=CC=CC2=C1C=CC=C2OC(=O)N(C)C
InChI
InChI=1S/C13H15N2O2/c1-14(2)13(16)17-12-8-4-7-11-10(12)6-5-9-15(11)3/h4-9H,1-3H3/q+1
InChIKey
HETYEJCJDIXDTI-UHFFFAOYSA-N
Compound name
(1-methylquinolin-1-ium-5-yl) N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.11336 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.120636 151.4
[M+Na]+ 254.102578 159.5
[M-H]- 230.106084 156.6
[M+NH4]+ 249.147183 169.5
[M+K]+ 270.076518 152.6
[M+H-H2O]+ 214.110620 146.6
[M+HCOO]- 276.111561 174.1
[M+CH3COO]- 290.127211 189.8
[M+Na-2H]- 252.088026 160.1
[M]+ 231.11281142 153.4
[M]- 231.11390858 153.4
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.