CID 54438385

1628206-34-7

Structural Information

Molecular Formula
C13H12N2O2
SMILES
CC1=NC=C(C=C1)NC(=O)OC2=CC=CC=C2
InChI
InChI=1S/C13H12N2O2/c1-10-7-8-11(9-14-10)15-13(16)17-12-5-3-2-4-6-12/h2-9H,1H3,(H,15,16)
InChIKey
WMINNUCCVABYCZ-UHFFFAOYSA-N
Compound name
phenyl N-(6-methylpyridin-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

228.08987 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.09715 150.6
[M+Na]+ 251.07909 164.4
[M+NH4]+ 246.12369 158.6
[M+K]+ 267.05303 157.5
[M-H]- 227.08259 154.7
[M+Na-2H]- 249.06454 160.2
[M]+ 228.08932 153.7
[M]- 228.09042 153.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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