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

242
Patents

244.15756 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.164836 157.3
[M+Na]+ 267.146778 163.6
[M-H]- 243.150284 160.5
[M+NH4]+ 262.191383 169.8
[M+K]+ 283.120718 159.9
[M+H-H2O]+ 227.154820 142.6
[M+HCOO]- 289.155761 170.5
[M+CH3COO]- 303.171411 203.3
[M+Na-2H]- 265.132226 162.8
[M]+ 244.15701142 149.5
[M]- 244.15810858 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

patents stripe