CID 68857542

Tert-butyl 3-(3-aminopropyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C13H26N2O2
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)CCCN
InChI
InChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)15-9-5-7-11(10-15)6-4-8-14/h11H,4-10,14H2,1-3H3
InChIKey
AJTYGHSVRUDXKS-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3-aminopropyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

242.19943 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.206706 161.8
[M+Na]+ 265.188648 165.2
[M-H]- 241.192154 162.3
[M+NH4]+ 260.233253 177.6
[M+K]+ 281.162588 163.9
[M+H-H2O]+ 225.196690 155.0
[M+HCOO]- 287.197631 177.9
[M+CH3COO]- 301.213281 194.9
[M+Na-2H]- 263.174096 163.1
[M]+ 242.19888142 158.9
[M]- 242.19997858 158.9
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