CID 11745848

138343-75-6

Structural Information

Molecular Formula
C11H16N2O2
SMILES
CC1=C(N=CC=C1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H16N2O2/c1-8-6-5-7-12-9(8)13-10(14)15-11(2,3)4/h5-7H,1-4H3,(H,12,13,14)
InChIKey
MJPLUXLNYQHWIU-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-methylpyridin-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

213
Patents

208.12119 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.12847 147.5
[M+Na]+ 231.11041 158.4
[M+NH4]+ 226.15501 154.3
[M+K]+ 247.08435 153.7
[M-H]- 207.11391 148.1
[M+Na-2H]- 229.09586 153.2
[M]+ 208.12064 149.1
[M]- 208.12174 149.1
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

patents stripe