CID 3066078

2,4-dimethyl-2-(4-(2-methylpropyl)phenyl)morpholine hydrochloride

Structural Information

Molecular Formula
C16H25NO
SMILES
CC(C)CC1=CC=C(C=C1)C2(CN(CCO2)C)C
InChI
InChI=1S/C16H25NO/c1-13(2)11-14-5-7-15(8-6-14)16(3)12-17(4)9-10-18-16/h5-8,13H,9-12H2,1-4H3
InChIKey
ACGQGERSNLSIAQ-UHFFFAOYSA-N
Compound name
2,4-dimethyl-2-[4-(2-methylpropyl)phenyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.19362 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.200896 160.4
[M+Na]+ 270.182838 165.8
[M-H]- 246.186344 165.7
[M+NH4]+ 265.227443 177.1
[M+K]+ 286.156778 164.3
[M+H-H2O]+ 230.190880 152.7
[M+HCOO]- 292.191821 176.8
[M+CH3COO]- 306.207471 196.3
[M+Na-2H]- 268.168286 163.7
[M]+ 247.19307142 158.9
[M]- 247.19416858 158.9
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.