CID 22961112

208245-73-2

Structural Information

Molecular Formula
C11H19NO2
SMILES
CC1=CCN(CC1)C(=O)OC(C)(C)C
InChI
InChI=1S/C11H19NO2/c1-9-5-7-12(8-6-9)10(13)14-11(2,3)4/h5H,6-8H2,1-4H3
InChIKey
UPUZWYFQRARJNC-UHFFFAOYSA-N
Compound name
tert-butyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

179
Patents

197.14159 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.14887 146.0
[M+Na]+ 220.13081 152.2
[M-H]- 196.13431 148.0
[M+NH4]+ 215.17541 164.5
[M+K]+ 236.10475 151.6
[M+H-H2O]+ 180.13885 140.1
[M+HCOO]- 242.13979 163.9
[M+CH3COO]- 256.15544 184.2
[M+Na-2H]- 218.11626 150.1
[M]+ 197.14104 145.6
[M]- 197.14214 145.6
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