CID 66660873

Tert-butyl 4-(2-aminoethyl)-4-methylpiperidine-1-carboxylate

Structural Information

Molecular Formula
C13H26N2O2
SMILES
CC1(CCN(CC1)C(=O)OC(C)(C)C)CCN
InChI
InChI=1S/C13H26N2O2/c1-12(2,3)17-11(16)15-9-6-13(4,5-8-14)7-10-15/h5-10,14H2,1-4H3
InChIKey
ZXAWHVKPOIYDRU-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-aminoethyl)-4-methylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

242.19943 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.206706 160.5
[M+Na]+ 265.188648 164.8
[M-H]- 241.192154 161.3
[M+NH4]+ 260.233253 178.4
[M+K]+ 281.162588 163.9
[M+H-H2O]+ 225.196690 154.8
[M+HCOO]- 287.197631 176.6
[M+CH3COO]- 301.213281 194.4
[M+Na-2H]- 263.174096 163.1
[M]+ 242.19888142 157.9
[M]- 242.19997858 157.9
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