CID 380282

92956-67-7

Structural Information

Molecular Formula
C14H23NO3
SMILES
CC#CC(C(C)C)(C(=O)OC1CCN(CC1)C)O
InChI
InChI=1S/C14H23NO3/c1-5-8-14(17,11(2)3)13(16)18-12-6-9-15(4)10-7-12/h11-12,17H,6-7,9-10H2,1-4H3
InChIKey
DKHYPPULAXLVIE-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 2-hydroxy-2-propan-2-ylpent-3-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.1678 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.175076 160.5
[M+Na]+ 276.157018 166.2
[M-H]- 252.160524 159.1
[M+NH4]+ 271.201623 173.7
[M+K]+ 292.130958 163.6
[M+H-H2O]+ 236.165060 148.4
[M+HCOO]- 298.166001 168.9
[M+CH3COO]- 312.181651 199.9
[M+Na-2H]- 274.142466 160.0
[M]+ 253.16725142 152.9
[M]- 253.16834858 152.9
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.