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]+ 192.138286 143.0
[M+Na]+ 214.120228 147.5
[M-H]- 190.123734 147.7
[M+NH4]+ 209.164833 159.3
[M+K]+ 230.094168 146.1
[M+H-H2O]+ 174.128270 134.9
[M+HCOO]- 236.129211 161.8
[M+CH3COO]- 250.144861 181.7
[M+Na-2H]- 212.105676 150.0
[M]+ 191.13046142 139.6
[M]- 191.13155858 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

literature stripe

Patent stripe

patents stripe