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

27
Patents

239.15215 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.15943 156.8
[M+Na]+ 262.14137 164.3
[M-H]- 238.14487 156.1
[M+NH4]+ 257.18597 172.6
[M+K]+ 278.11531 161.2
[M+H-H2O]+ 222.14941 145.8
[M+HCOO]- 284.15035 166.5
[M+CH3COO]- 298.16600 195.4
[M+Na-2H]- 260.12682 159.1
[M]+ 239.15160 149.8
[M]- 239.15270 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