CID 22342862

(4-benzyl-3-methylmorpholin-3-yl)methanol

Structural Information

Molecular Formula
C13H19NO2
SMILES
CC1(COCCN1CC2=CC=CC=C2)CO
InChI
InChI=1S/C13H19NO2/c1-13(10-15)11-16-8-7-14(13)9-12-5-3-2-4-6-12/h2-6,15H,7-11H2,1H3
InChIKey
WBPZLUWUMMIRCP-UHFFFAOYSA-N
Compound name
(4-benzyl-3-methylmorpholin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

221.14159 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 151.3
[M+Na]+ 244.13081 156.8
[M-H]- 220.13431 155.2
[M+NH4]+ 239.17541 168.0
[M+K]+ 260.10475 155.1
[M+H-H2O]+ 204.13885 143.8
[M+HCOO]- 266.13979 168.4
[M+CH3COO]- 280.15544 184.8
[M+Na-2H]- 242.11626 157.6
[M]+ 221.14104 148.5
[M]- 221.14214 148.5
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