CID 97711

5,5-dimethyl-2-phenylmorpholine

Structural Information

Molecular Formula
C12H17NO
SMILES
CC1(COC(CN1)C2=CC=CC=C2)C
InChI
InChI=1S/C12H17NO/c1-12(2)9-14-11(8-13-12)10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3
InChIKey
KJUOROGOOZJYAI-UHFFFAOYSA-N
Compound name
5,5-dimethyl-2-phenylmorpholine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

23
References

51
Patents

191.13101 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 143.5
[M+Na]+ 214.12023 149.5
[M-H]- 190.12373 147.7
[M+NH4]+ 209.16483 161.5
[M+K]+ 230.09417 147.6
[M+H-H2O]+ 174.12827 136.5
[M+HCOO]- 236.12921 160.8
[M+CH3COO]- 250.14486 155.4
[M+Na-2H]- 212.10568 150.3
[M]+ 191.13046 139.0
[M]- 191.13156 139.0
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