CID 380339

Nsc665867

Structural Information

Molecular Formula
C19H31NO3
SMILES
CC#CC(C1CCCC1)(C(=O)OC2CC(N(C(C2)(C)C)C)C)O
InChI
InChI=1S/C19H31NO3/c1-6-11-19(22,15-9-7-8-10-15)17(21)23-16-12-14(2)20(5)18(3,4)13-16/h14-16,22H,7-10,12-13H2,1-5H3
InChIKey
BQMGCDFTZFMGQF-UHFFFAOYSA-N
Compound name
(1,2,2,6-tetramethylpiperidin-4-yl) 2-cyclopentyl-2-hydroxypent-3-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.2304 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.23768 179.3
[M+Na]+ 344.21962 185.8
[M-H]- 320.22312 180.6
[M+NH4]+ 339.26422 193.7
[M+K]+ 360.19356 180.1
[M+H-H2O]+ 304.22766 167.6
[M+HCOO]- 366.22860 186.6
[M+CH3COO]- 380.24425 211.0
[M+Na-2H]- 342.20507 176.1
[M]+ 321.22985 170.7
[M]- 321.23095 170.7
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.