CID 380288

3-dimethylaminopropyl cyclohexyl(1-propynyl)glycolate

Structural Information

Molecular Formula
C16H27NO3
SMILES
CC#CC(C1CCCCC1)(C(=O)OCCCN(C)C)O
InChI
InChI=1S/C16H27NO3/c1-4-11-16(19,14-9-6-5-7-10-14)15(18)20-13-8-12-17(2)3/h14,19H,5-10,12-13H2,1-3H3
InChIKey
TZFUGGVANCSYFO-UHFFFAOYSA-N
Compound name
3-(dimethylamino)propyl 2-cyclohexyl-2-hydroxypent-3-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1991 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.20638 170.3
[M+Na]+ 304.18832 174.3
[M-H]- 280.19182 170.8
[M+NH4]+ 299.23292 183.8
[M+K]+ 320.16226 171.6
[M+H-H2O]+ 264.19636 158.0
[M+HCOO]- 326.19730 181.6
[M+CH3COO]- 340.21295 208.5
[M+Na-2H]- 302.17377 170.1
[M]+ 281.19855 163.6
[M]- 281.19965 163.6
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.