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

113
Patents

229.17903 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.186306 155.5
[M+Na]+ 252.168248 159.8
[M-H]- 228.171754 156.1
[M+NH4]+ 247.212853 173.3
[M+K]+ 268.142188 159.0
[M+H-H2O]+ 212.176290 149.8
[M+HCOO]- 274.177231 172.7
[M+CH3COO]- 288.192881 192.9
[M+Na-2H]- 250.153696 158.5
[M]+ 229.17848142 150.4
[M]- 229.17957858 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