CID 124133205

2055344-88-0

Structural Information

Molecular Formula
C10H16ClNO2
SMILES
CC(C)(C)OC(=O)N1CC=CC(C1)Cl
InChI
InChI=1S/C10H16ClNO2/c1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h4-5,8H,6-7H2,1-3H3
InChIKey
GKRDUWXXIOYCRC-UHFFFAOYSA-N
Compound name
tert-butyl 3-chloro-3,6-dihydro-2H-pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

217.08696 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.09424 147.2
[M+Na]+ 240.07618 154.5
[M-H]- 216.07968 149.1
[M+NH4]+ 235.12078 165.6
[M+K]+ 256.05012 152.1
[M+H-H2O]+ 200.08422 142.0
[M+HCOO]- 262.08516 160.8
[M+CH3COO]- 276.10081 185.0
[M+Na-2H]- 238.06163 151.4
[M]+ 217.08641 148.3
[M]- 217.08751 148.3
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