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-methyl-2-pyridinyl)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]+ 181.097146 138.0
[M+Na]+ 203.079088 145.7
[M-H]- 179.082594 140.6
[M+NH4]+ 198.123693 156.7
[M+K]+ 219.053028 144.5
[M+H-H2O]+ 163.087130 131.1
[M+HCOO]- 225.088071 162.1
[M+CH3COO]- 239.103721 182.6
[M+Na-2H]- 201.064536 144.7
[M]+ 180.08932142 139.5
[M]- 180.09041858 139.5
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

patents stripe