CID 218942

41322-67-2

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CCOC(=O)NC1=NC=C(C=C1)C
InChI
InChI=1S/C9H12N2O2/c1-3-13-9(12)11-8-5-4-7(2)6-10-8/h4-6H,3H2,1-2H3,(H,10,11,12)
InChIKey
LFWDOAOPDAIEKD-UHFFFAOYSA-N
Compound name
ethyl N-(5-methylpyridin-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.08987 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 138.5
[M+Na]+ 203.07909 150.1
[M+NH4]+ 198.12369 145.9
[M+K]+ 219.05303 144.6
[M-H]- 179.08259 139.9
[M+Na-2H]- 201.06454 144.9
[M]+ 180.08932 140.3
[M]- 180.09042 140.3
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.