CID 19964397

2-(2-phenylethyl)morpholine

Structural Information

Molecular Formula
C12H17NO
SMILES
C1COC(CN1)CCC2=CC=CC=C2
InChI
InChI=1S/C12H17NO/c1-2-4-11(5-3-1)6-7-12-10-13-8-9-14-12/h1-5,12-13H,6-10H2
InChIKey
TXIWKJLQPACJEW-UHFFFAOYSA-N
Compound name
2-(2-phenylethyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
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 143.5
[M+Na]+ 214.120228 147.5
[M-H]- 190.123734 146.8
[M+NH4]+ 209.164833 159.0
[M+K]+ 230.094168 145.2
[M+H-H2O]+ 174.128270 135.7
[M+HCOO]- 236.129211 160.7
[M+CH3COO]- 250.144861 154.5
[M+Na-2H]- 212.105676 150.0
[M]+ 191.13046142 138.2
[M]- 191.13155858 138.2
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