CID 137699053

2022370-40-5

Structural Information

Molecular Formula
C16H25NO4
SMILES
CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)CC#C
InChI
InChI=1S/C16H25NO4/c1-6-8-16(13(18)20-7-2)9-11-17(12-10-16)14(19)21-15(3,4)5/h1H,7-12H2,2-5H3
InChIKey
QJYHJRUANMHGCG-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 4-O-ethyl 4-prop-2-ynylpiperidine-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.17834 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.185616 168.8
[M+Na]+ 318.167558 175.6
[M-H]- 294.171064 168.9
[M+NH4]+ 313.212163 183.0
[M+K]+ 334.141498 173.0
[M+H-H2O]+ 278.175600 157.2
[M+HCOO]- 340.176541 178.5
[M+CH3COO]- 354.192191 207.0
[M+Na-2H]- 316.153006 169.4
[M]+ 295.17779142 164.5
[M]- 295.17888858 164.5
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.