CID 411956

4-(2-phenylethyl)morpholine

Structural Information

Molecular Formula
C12H17NO
SMILES
C1COCCN1CCC2=CC=CC=C2
InChI
InChI=1S/C12H17NO/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13/h1-5H,6-11H2
InChIKey
VNCMOWDOKGTAMH-UHFFFAOYSA-N
Compound name
4-(2-phenylethyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

249
Patents

191.13101 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 143.0
[M+Na]+ 214.12023 147.5
[M-H]- 190.12373 147.7
[M+NH4]+ 209.16483 159.3
[M+K]+ 230.09417 146.1
[M+H-H2O]+ 174.12827 134.9
[M+HCOO]- 236.12921 161.8
[M+CH3COO]- 250.14486 181.7
[M+Na-2H]- 212.10568 150.0
[M]+ 191.13046 139.6
[M]- 191.13156 139.6
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.