CID 136576306

2225141-32-0

Structural Information

Molecular Formula
C18H29NO4
SMILES
CC(C)(C)OC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)CC#C
InChI
InChI=1S/C18H29NO4/c1-8-9-18(14(20)22-16(2,3)4)10-12-19(13-11-18)15(21)23-17(5,6)7/h1H,9-13H2,2-7H3
InChIKey
KCMGSZLKKRVNKG-UHFFFAOYSA-N
Compound name
ditert-butyl 4-prop-2-ynylpiperidine-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.20966 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.216936 178.3
[M+Na]+ 346.198878 184.6
[M-H]- 322.202384 178.4
[M+NH4]+ 341.243483 191.7
[M+K]+ 362.172818 182.4
[M+H-H2O]+ 306.206920 167.2
[M+HCOO]- 368.207861 186.0
[M+CH3COO]- 382.223511 212.1
[M+Na-2H]- 344.184326 178.9
[M]+ 323.20911142 174.2
[M]- 323.21020858 174.2
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.