CID 736817

1-boc-4-(aminomethyl)piperidine

Structural Information

Molecular Formula
C11H22N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CN
InChI
InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13/h9H,4-8,12H2,1-3H3
InChIKey
KLKBCNDBOVRQIJ-UHFFFAOYSA-N
Compound name
tert-butyl 4-(aminomethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3888
Patents

214.16812 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.17540 152.8
[M+Na]+ 237.15734 157.0
[M-H]- 213.16084 153.7
[M+NH4]+ 232.20194 169.8
[M+K]+ 253.13128 156.2
[M+H-H2O]+ 197.16538 146.4
[M+HCOO]- 259.16632 169.5
[M+CH3COO]- 273.18197 188.8
[M+Na-2H]- 235.14279 155.1
[M]+ 214.16757 149.1
[M]- 214.16867 149.1
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