CID 86329003

1932789-57-5

Structural Information

Molecular Formula
C13H26N2O2
SMILES
CCNC[C@@H]1CCCCN1C(=O)OC(C)(C)C
InChI
InChI=1S/C13H26N2O2/c1-5-14-10-11-8-6-7-9-15(11)12(16)17-13(2,3)4/h11,14H,5-10H2,1-4H3/t11-/m0/s1
InChIKey
DNPZZKUZHMYHOZ-NSHDSACASA-N
Compound name
tert-butyl (2S)-2-(ethylaminomethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

242.19943 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.206706 161.3
[M+Na]+ 265.188648 164.6
[M-H]- 241.192154 162.3
[M+NH4]+ 260.233253 177.4
[M+K]+ 281.162588 163.7
[M+H-H2O]+ 225.196690 154.5
[M+HCOO]- 287.197631 178.0
[M+CH3COO]- 301.213281 195.5
[M+Na-2H]- 263.174096 163.6
[M]+ 242.19888142 159.4
[M]- 242.19997858 159.4
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