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]+ 273.196146 166.2
[M+Na]+ 295.178088 171.4
[M-H]- 271.181594 169.1
[M+NH4]+ 290.222693 177.5
[M+K]+ 311.152028 167.7
[M+H-H2O]+ 255.186130 151.1
[M+HCOO]- 317.187071 177.8
[M+CH3COO]- 331.202721 209.5
[M+Na-2H]- 293.163536 169.6
[M]+ 272.18832142 158.4
[M]- 272.18941858 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.