CID 15651195

4-benzylmorpholine-2-carbonitrile

Structural Information

Molecular Formula
C12H14N2O
SMILES
C1COC(CN1CC2=CC=CC=C2)C#N
InChI
InChI=1S/C12H14N2O/c13-8-12-10-14(6-7-15-12)9-11-4-2-1-3-5-11/h1-5,12H,6-7,9-10H2
InChIKey
NAWYNSSXFPEQKE-UHFFFAOYSA-N
Compound name
4-benzylmorpholine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

187
Patents

202.11061 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11789 142.2
[M+Na]+ 225.09983 150.2
[M-H]- 201.10333 145.9
[M+NH4]+ 220.14443 156.4
[M+K]+ 241.07377 146.7
[M+H-H2O]+ 185.10787 127.7
[M+HCOO]- 247.10881 157.7
[M+CH3COO]- 261.12446 152.7
[M+Na-2H]- 223.08528 148.1
[M]+ 202.11006 134.3
[M]- 202.11116 134.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe