CID 163297233

Tert-butyl 4-[(azetidin-3-yl)methyl]piperidine-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C14H26N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CC2CNC2
InChI
InChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-6-4-11(5-7-16)8-12-9-15-10-12/h11-12,15H,4-10H2,1-3H3
InChIKey
PSXQJIOPIDPRPY-UHFFFAOYSA-N
Compound name
tert-butyl 4-(azetidin-3-ylmethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

254.19943 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.20671 164.1
[M+Na]+ 277.18865 165.6
[M-H]- 253.19215 164.9
[M+NH4]+ 272.23325 171.1
[M+K]+ 293.16259 166.7
[M+H-H2O]+ 237.19669 151.1
[M+HCOO]- 299.19763 174.9
[M+CH3COO]- 313.21328 195.0
[M+Na-2H]- 275.17410 164.5
[M]+ 254.19888 167.6
[M]- 254.19998 167.6
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