CID 165937840

En300-28296774

Structural Information

Molecular Formula
C18H30N2O4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)N(CC#C)C(=O)OC(C)(C)C
InChI
InChI=1S/C18H30N2O4/c1-8-11-20(16(22)24-18(5,6)7)14-9-12-19(13-10-14)15(21)23-17(2,3)4/h1,14H,9-13H2,2-7H3
InChIKey
YCHJZNOGKFSRHC-UHFFFAOYSA-N
Compound name
tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-ynylamino]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.22055 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.22783 182.3
[M+Na]+ 361.20977 186.7
[M-H]- 337.21327 183.0
[M+NH4]+ 356.25437 193.3
[M+K]+ 377.18371 186.1
[M+H-H2O]+ 321.21781 169.5
[M+HCOO]- 383.21875 191.2
[M+CH3COO]- 397.23440 219.5
[M+Na-2H]- 359.19522 181.2
[M]+ 338.22000 177.9
[M]- 338.22110 177.9
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

No patent data available for this compound.