CID 57481694

480450-36-0

Structural Information

Molecular Formula
C10H21N3O2
SMILES
CC(C)(C)OC(=O)N1CC[C@H]([C@H](C1)N)N
InChI
InChI=1S/C10H21N3O2/c1-10(2,3)15-9(14)13-5-4-7(11)8(12)6-13/h7-8H,4-6,11-12H2,1-3H3/t7-,8+/m1/s1
InChIKey
UJLDFDMDAGJZSV-SFYZADRCSA-N
Compound name
tert-butyl (3S,4R)-3,4-diaminopiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

215.16338 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.170656 152.2
[M+Na]+ 238.152598 156.9
[M-H]- 214.156104 153.0
[M+NH4]+ 233.197203 168.8
[M+K]+ 254.126538 156.0
[M+H-H2O]+ 198.160640 145.9
[M+HCOO]- 260.161581 169.6
[M+CH3COO]- 274.177231 191.6
[M+Na-2H]- 236.138046 153.6
[M]+ 215.16283142 146.7
[M]- 215.16392858 146.7
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