CID 71863

Minepentate

Structural Information

Molecular Formula
C18H27NO3
SMILES
CN(C)CCOCCOC(=O)C1(CCCC1)C2=CC=CC=C2
InChI
InChI=1S/C18H27NO3/c1-19(2)12-13-21-14-15-22-17(20)18(10-6-7-11-18)16-8-4-3-5-9-16/h3-5,8-9H,6-7,10-15H2,1-2H3
InChIKey
XZUULFZXNSIACY-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

305.1991 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.20638 176.1
[M+Na]+ 328.18832 178.8
[M-H]- 304.19182 182.7
[M+NH4]+ 323.23292 194.3
[M+K]+ 344.16226 177.7
[M+H-H2O]+ 288.19636 168.4
[M+HCOO]- 350.19730 198.4
[M+CH3COO]- 364.21295 207.8
[M+Na-2H]- 326.17377 177.2
[M]+ 305.19855 178.2
[M]- 305.19965 178.2
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