CID 165623668

En300-1882549

Structural Information

Molecular Formula
C14H23NO2
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)CCC#C
InChI
InChI=1S/C14H23NO2/c1-5-6-8-12-9-7-10-15(11-12)13(16)17-14(2,3)4/h1,12H,6-11H2,2-4H3
InChIKey
MPJKHRVMQRBMOI-UHFFFAOYSA-N
Compound name
tert-butyl 3-but-3-ynylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.17288 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.18016 156.6
[M+Na]+ 260.16210 163.2
[M-H]- 236.16560 156.5
[M+NH4]+ 255.20670 171.3
[M+K]+ 276.13604 160.2
[M+H-H2O]+ 220.17014 144.3
[M+HCOO]- 282.17108 167.2
[M+CH3COO]- 296.18673 199.0
[M+Na-2H]- 258.14755 157.7
[M]+ 237.17233 149.9
[M]- 237.17343 149.9
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.