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]+ 192.138286 143.5
[M+Na]+ 214.120228 149.5
[M-H]- 190.123734 147.7
[M+NH4]+ 209.164833 161.5
[M+K]+ 230.094168 147.6
[M+H-H2O]+ 174.128270 136.5
[M+HCOO]- 236.129211 160.8
[M+CH3COO]- 250.144861 155.4
[M+Na-2H]- 212.105676 150.3
[M]+ 191.13046142 139.0
[M]- 191.13155858 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