CID 118513

2,5-dimethyl-4-(morpholinomethyl)phenol hydrochloride

Structural Information

Molecular Formula
C13H19NO2
SMILES
CC1=CC(=C(C=C1O)C)CN2CCOCC2
InChI
InChI=1S/C13H19NO2/c1-10-8-13(15)11(2)7-12(10)9-14-3-5-16-6-4-14/h7-8,15H,3-6,9H2,1-2H3
InChIKey
RIQXULCAEXVXDY-UHFFFAOYSA-N
Compound name
2,5-dimethyl-4-(morpholin-4-ylmethyl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

159
Patents

221.14159 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.148866 151.6
[M+Na]+ 244.130808 158.0
[M-H]- 220.134314 155.9
[M+NH4]+ 239.175413 166.8
[M+K]+ 260.104748 156.0
[M+H-H2O]+ 204.138850 144.0
[M+HCOO]- 266.139791 168.7
[M+CH3COO]- 280.155441 187.6
[M+Na-2H]- 242.116256 155.4
[M]+ 221.14104142 149.3
[M]- 221.14213858 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