CID 21180639

301184-50-9

Structural Information

Molecular Formula
C13H21NO3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CC#C)O
InChI
InChI=1S/C13H21NO3/c1-5-6-13(16)7-9-14(10-8-13)11(15)17-12(2,3)4/h1,16H,6-10H2,2-4H3
InChIKey
PSIWSTCZAIQSON-UHFFFAOYSA-N
Compound name
tert-butyl 4-hydroxy-4-prop-2-ynylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

239.15215 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.159426 156.8
[M+Na]+ 262.141368 164.3
[M-H]- 238.144874 156.1
[M+NH4]+ 257.185973 172.6
[M+K]+ 278.115308 161.2
[M+H-H2O]+ 222.149410 145.8
[M+HCOO]- 284.150351 166.5
[M+CH3COO]- 298.166001 195.4
[M+Na-2H]- 260.126816 159.1
[M]+ 239.15160142 149.8
[M]- 239.15269858 149.8
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

patents stripe