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]+ 192.13829 143.5
[M+Na]+ 214.12023 147.5
[M-H]- 190.12373 146.8
[M+NH4]+ 209.16483 159.0
[M+K]+ 230.09417 145.2
[M+H-H2O]+ 174.12827 135.7
[M+HCOO]- 236.12921 160.7
[M+CH3COO]- 250.14486 154.5
[M+Na-2H]- 212.10568 150.0
[M]+ 191.13046 138.2
[M]- 191.13156 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