CID 22975818

Tert-butyl 4-amino-4-(aminomethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C11H23N3O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CN)N
InChI
InChI=1S/C11H23N3O2/c1-10(2,3)16-9(15)14-6-4-11(13,8-12)5-7-14/h4-8,12-13H2,1-3H3
InChIKey
GFRZXIHYVYRFPV-UHFFFAOYSA-N
Compound name
tert-butyl 4-amino-4-(aminomethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

229.17903 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.18631 155.5
[M+Na]+ 252.16825 159.8
[M-H]- 228.17175 156.1
[M+NH4]+ 247.21285 173.3
[M+K]+ 268.14219 159.0
[M+H-H2O]+ 212.17629 149.8
[M+HCOO]- 274.17723 172.7
[M+CH3COO]- 288.19288 192.9
[M+Na-2H]- 250.15370 158.5
[M]+ 229.17848 150.4
[M]- 229.17958 150.4
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