CID 71742813

(4-benzyl-6,6-dimethylmorpholin-2-yl)methanol

Structural Information

Molecular Formula
C14H21NO2
SMILES
CC1(CN(CC(O1)CO)CC2=CC=CC=C2)C
InChI
InChI=1S/C14H21NO2/c1-14(2)11-15(9-13(10-16)17-14)8-12-6-4-3-5-7-12/h3-7,13,16H,8-11H2,1-2H3
InChIKey
RKNCXMQRTZZKDM-UHFFFAOYSA-N
Compound name
(4-benzyl-6,6-dimethylmorpholin-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

235.15723 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.164506 155.5
[M+Na]+ 258.146448 161.5
[M-H]- 234.149954 159.6
[M+NH4]+ 253.191053 171.9
[M+K]+ 274.120388 159.6
[M+H-H2O]+ 218.154490 148.1
[M+HCOO]- 280.155431 172.3
[M+CH3COO]- 294.171081 189.0
[M+Na-2H]- 256.131896 160.6
[M]+ 235.15668142 153.5
[M]- 235.15777858 153.5
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