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]+ 236.16451 155.5
[M+Na]+ 258.14645 161.5
[M-H]- 234.14995 159.6
[M+NH4]+ 253.19105 171.9
[M+K]+ 274.12039 159.6
[M+H-H2O]+ 218.15449 148.1
[M+HCOO]- 280.15543 172.3
[M+CH3COO]- 294.17108 189.0
[M+Na-2H]- 256.13190 160.6
[M]+ 235.15668 153.5
[M]- 235.15778 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