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]+ 222.14887 152.3
[M+Na]+ 244.13081 158.3
[M-H]- 220.13431 155.3
[M+NH4]+ 239.17541 166.8
[M+K]+ 260.10475 155.4
[M+H-H2O]+ 204.13885 145.0
[M+HCOO]- 266.13979 167.9
[M+CH3COO]- 280.15544 185.1
[M+Na-2H]- 242.11626 155.6
[M]+ 221.14104 148.2
[M]- 221.14214 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.