CID 67411808

1312131-45-5

Structural Information

Molecular Formula
C12H22ClNO3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CO)CCl
InChI
InChI=1S/C12H22ClNO3/c1-11(2,3)17-10(16)14-6-4-12(8-13,9-15)5-7-14/h15H,4-9H2,1-3H3
InChIKey
CSLWIKIJFFEYPB-UHFFFAOYSA-N
Compound name
tert-butyl 4-(chloromethyl)-4-(hydroxymethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

263.1288 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.13608 159.8
[M+Na]+ 286.11802 165.6
[M-H]- 262.12152 160.0
[M+NH4]+ 281.16262 177.6
[M+K]+ 302.09196 163.0
[M+H-H2O]+ 246.12606 155.5
[M+HCOO]- 308.12700 170.1
[M+CH3COO]- 322.14265 190.4
[M+Na-2H]- 284.10347 163.0
[M]+ 263.12825 160.1
[M]- 263.12935 160.1
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

patents stripe