CID 14660

Brn 1081095

Structural Information

Molecular Formula
C17H24N2O
SMILES
CC(C)C(CCN1CCOCC1)(C#N)C2=CC=CC=C2
InChI
InChI=1S/C17H24N2O/c1-15(2)17(14-18,16-6-4-3-5-7-16)8-9-19-10-12-20-13-11-19/h3-7,15H,8-13H2,1-2H3
InChIKey
PUJOAWZWLJQUCU-UHFFFAOYSA-N
Compound name
3-methyl-2-(2-morpholin-4-ylethyl)-2-phenylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.18887 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.19615 166.2
[M+Na]+ 295.17809 171.4
[M-H]- 271.18159 169.1
[M+NH4]+ 290.22269 177.5
[M+K]+ 311.15203 167.7
[M+H-H2O]+ 255.18613 151.1
[M+HCOO]- 317.18707 177.8
[M+CH3COO]- 331.20272 209.5
[M+Na-2H]- 293.16354 169.6
[M]+ 272.18832 158.4
[M]- 272.18942 158.4
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.