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]+ 296.18562 168.8
[M+Na]+ 318.16756 175.6
[M-H]- 294.17106 168.9
[M+NH4]+ 313.21216 183.0
[M+K]+ 334.14150 173.0
[M+H-H2O]+ 278.17560 157.2
[M+HCOO]- 340.17654 178.5
[M+CH3COO]- 354.19219 207.0
[M+Na-2H]- 316.15301 169.4
[M]+ 295.17779 164.5
[M]- 295.17889 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.