CID 600557

74037-74-4

Structural Information

Molecular Formula
C12H17NO
SMILES
CC(C1=CC=CC=C1)N2CCOCC2
InChI
InChI=1S/C12H17NO/c1-11(12-5-3-2-4-6-12)13-7-9-14-10-8-13/h2-6,11H,7-10H2,1H3
InChIKey
SKPBVBDYKFUVCG-UHFFFAOYSA-N
Compound name
4-(1-phenylethyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
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 144.1
[M+Na]+ 214.12023 157.1
[M+NH4]+ 209.16483 153.4
[M+K]+ 230.09417 150.2
[M-H]- 190.12373 149.5
[M+Na-2H]- 212.10568 151.9
[M]+ 191.13046 147.5
[M]- 191.13156 147.5
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