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]+ 264.13608 159.0
[M+Na]+ 286.11802 165.2
[M-H]- 262.12152 160.6
[M+NH4]+ 281.16262 177.5
[M+K]+ 302.09196 163.5
[M+H-H2O]+ 246.12606 154.4
[M+HCOO]- 308.12700 170.8
[M+CH3COO]- 322.14265 193.0
[M+Na-2H]- 284.10347 162.7
[M]+ 263.12825 161.2
[M]- 263.12935 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.