CID 120884

3,3-dimethyl-2-phenylmorpholine

Structural Information

Molecular Formula
C12H17NO
SMILES
CC1(C(OCCN1)C2=CC=CC=C2)C
InChI
InChI=1S/C12H17NO/c1-12(2)11(14-9-8-13-12)10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3
InChIKey
GAWYXLVYEOEEEN-UHFFFAOYSA-N
Compound name
3,3-dimethyl-2-phenylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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

No literature data available for this compound.

Patent stripe

patents stripe