CID 249546

4-benzylmorpholine

Structural Information

Molecular Formula
C11H15NO
SMILES
C1COCCN1CC2=CC=CC=C2
InChI
InChI=1S/C11H15NO/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-5H,6-10H2
InChIKey
GVWBJJLCTWNTRU-UHFFFAOYSA-N
Compound name
4-benzylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

4373
Patents

177.11537 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 138.4
[M+Na]+ 200.10459 143.3
[M-H]- 176.10809 143.3
[M+NH4]+ 195.14919 155.2
[M+K]+ 216.07853 142.2
[M+H-H2O]+ 160.11263 130.5
[M+HCOO]- 222.11357 157.5
[M+CH3COO]- 236.12922 150.5
[M+Na-2H]- 198.09004 145.9
[M]+ 177.11482 134.6
[M]- 177.11592 134.6
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