CID 57595

Cyclohexanol, 1-(alpha-(2-(dimethylamino)ethoxy)-alpha-methoxybenzyl)-, oxalate

Structural Information

Molecular Formula
C18H29NO3
SMILES
CN(C)CCOC(C1=CC=CC=C1)(C2(CCCCC2)O)OC
InChI
InChI=1S/C18H29NO3/c1-19(2)14-15-22-18(21-3,16-10-6-4-7-11-16)17(20)12-8-5-9-13-17/h4,6-7,10-11,20H,5,8-9,12-15H2,1-3H3
InChIKey
AGUGPAHTRATSNM-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethoxy-methoxy-phenylmethyl]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.21475 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.22203 175.6
[M+Na]+ 330.20397 177.3
[M-H]- 306.20747 180.5
[M+NH4]+ 325.24857 191.3
[M+K]+ 346.17791 176.2
[M+H-H2O]+ 290.21201 168.0
[M+HCOO]- 352.21295 193.3
[M+CH3COO]- 366.22860 206.8
[M+Na-2H]- 328.18942 179.8
[M]+ 307.21420 174.6
[M]- 307.21530 174.6
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.