CID 23562647

259180-79-5

Structural Information

Molecular Formula
C12H25N3O2
SMILES
CC(C)(C)OC(=O)NC1CCN(CC1)CCN
InChI
InChI=1S/C12H25N3O2/c1-12(2,3)17-11(16)14-10-4-7-15(8-5-10)9-6-13/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKey
OKJWSGAHIGPUIG-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(2-aminoethyl)piperidin-4-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

243.19467 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.20195 160.6
[M+Na]+ 266.18389 163.5
[M-H]- 242.18739 161.2
[M+NH4]+ 261.22849 176.0
[M+K]+ 282.15783 162.4
[M+H-H2O]+ 226.19193 153.5
[M+HCOO]- 288.19287 178.1
[M+CH3COO]- 302.20852 197.0
[M+Na-2H]- 264.16934 162.8
[M]+ 243.19412 156.5
[M]- 243.19522 156.5
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