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]+ 324.21694 178.3
[M+Na]+ 346.19888 184.6
[M-H]- 322.20238 178.4
[M+NH4]+ 341.24348 191.7
[M+K]+ 362.17282 182.4
[M+H-H2O]+ 306.20692 167.2
[M+HCOO]- 368.20786 186.0
[M+CH3COO]- 382.22351 212.1
[M+Na-2H]- 344.18433 178.9
[M]+ 323.20911 174.2
[M]- 323.21021 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.