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

30
Patents

215.16338 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.17066 152.2
[M+Na]+ 238.15260 156.9
[M-H]- 214.15610 153.0
[M+NH4]+ 233.19720 168.8
[M+K]+ 254.12654 156.0
[M+H-H2O]+ 198.16064 145.9
[M+HCOO]- 260.16158 169.6
[M+CH3COO]- 274.17723 191.6
[M+Na-2H]- 236.13805 153.6
[M]+ 215.16283 146.7
[M]- 215.16393 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