CID 108571

61791-78-4

Structural Information

Molecular Formula
C13H19NO2
SMILES
CC1=CC(=C(C=C1O)C)CC2COCCN2
InChI
InChI=1S/C13H19NO2/c1-9-6-13(15)10(2)5-11(9)7-12-8-16-4-3-14-12/h5-6,12,14-15H,3-4,7-8H2,1-2H3
InChIKey
QYCJPYUJKNUTBV-UHFFFAOYSA-N
Compound name
2,5-dimethyl-4-(morpholin-3-ylmethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 152.3
[M+Na]+ 244.130808 158.3
[M-H]- 220.134314 155.3
[M+NH4]+ 239.175413 166.8
[M+K]+ 260.104748 155.4
[M+H-H2O]+ 204.138850 145.0
[M+HCOO]- 266.139791 167.9
[M+CH3COO]- 280.155441 185.1
[M+Na-2H]- 242.116256 155.6
[M]+ 221.14104142 148.2
[M]- 221.14213858 148.2
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

No patent data available for this compound.