CID 3042748

Phenol, 4,5-dimethyl-2-(morpholinomethyl)-

Structural Information

Molecular Formula
C13H19NO2
SMILES
CC1=CC(=C(C=C1C)O)CN2CCOCC2
InChI
InChI=1S/C13H19NO2/c1-10-7-12(13(15)8-11(10)2)9-14-3-5-16-6-4-14/h7-8,15H,3-6,9H2,1-2H3
InChIKey
AOXCBRQKKRUDBF-UHFFFAOYSA-N
Compound name
4,5-dimethyl-2-(morpholin-4-ylmethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

221.14159 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 151.6
[M+Na]+ 244.13081 158.0
[M-H]- 220.13431 155.9
[M+NH4]+ 239.17541 166.8
[M+K]+ 260.10475 156.0
[M+H-H2O]+ 204.13885 144.0
[M+HCOO]- 266.13979 168.7
[M+CH3COO]- 280.15544 187.6
[M+Na-2H]- 242.11626 155.4
[M]+ 221.14104 149.3
[M]- 221.14214 149.3
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