CID 15022

1425-59-8

Structural Information

Molecular Formula
C15H20N2O
SMILES
CC(CCN1CCOCC1)(C#N)C2=CC=CC=C2
InChI
InChI=1S/C15H20N2O/c1-15(13-16,14-5-3-2-4-6-14)7-8-17-9-11-18-12-10-17/h2-6H,7-12H2,1H3
InChIKey
QOBDYSKUZHDWOI-UHFFFAOYSA-N
Compound name
2-methyl-4-morpholin-4-yl-2-phenylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.15756 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.16484 157.3
[M+Na]+ 267.14678 163.6
[M-H]- 243.15028 160.5
[M+NH4]+ 262.19138 169.8
[M+K]+ 283.12072 159.9
[M+H-H2O]+ 227.15482 142.6
[M+HCOO]- 289.15576 170.5
[M+CH3COO]- 303.17141 203.3
[M+Na-2H]- 265.13223 162.8
[M]+ 244.15701 149.5
[M]- 244.15811 149.5
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.