CID 177799544

Tert-butyl 4-(3-aminopropanamido)piperidine-1-carboxylate

Structural Information

Molecular Formula
C13H25N3O3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)CCN
InChI
InChI=1S/C13H25N3O3/c1-13(2,3)19-12(18)16-8-5-10(6-9-16)15-11(17)4-7-14/h10H,4-9,14H2,1-3H3,(H,15,17)
InChIKey
XWCUBQRTLMKLSP-UHFFFAOYSA-N
Compound name
tert-butyl 4-(3-aminopropanoylamino)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.1896 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.196876 166.5
[M+Na]+ 294.178818 169.0
[M-H]- 270.182324 167.1
[M+NH4]+ 289.223423 180.6
[M+K]+ 310.152758 168.2
[M+H-H2O]+ 254.186860 159.4
[M+HCOO]- 316.187801 183.1
[M+CH3COO]- 330.203451 201.6
[M+Na-2H]- 292.164266 167.2
[M]+ 271.18905142 162.8
[M]- 271.19014858 162.8
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

No patent data available for this compound.