CID 146048999

2000740-67-8

Structural Information

Molecular Formula
C12H22ClNO3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CCl)OC
InChI
InChI=1S/C12H22ClNO3/c1-11(2,3)17-10(15)14-7-5-12(9-13,16-4)6-8-14/h5-9H2,1-4H3
InChIKey
GYGRITTTZJJLLH-UHFFFAOYSA-N
Compound name
tert-butyl 4-(chloromethyl)-4-methoxypiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1288 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.136076 159.0
[M+Na]+ 286.118018 165.2
[M-H]- 262.121524 160.6
[M+NH4]+ 281.162623 177.5
[M+K]+ 302.091958 163.5
[M+H-H2O]+ 246.126060 154.4
[M+HCOO]- 308.127001 170.8
[M+CH3COO]- 322.142651 193.0
[M+Na-2H]- 284.103466 162.7
[M]+ 263.12825142 161.2
[M]- 263.12934858 161.2
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.