CID 23541157

(4-methylmorpholin-3-yl)methanol

Structural Information

Molecular Formula
C6H13NO2
SMILES
CN1CCOCC1CO
InChI
InChI=1S/C6H13NO2/c1-7-2-3-9-5-6(7)4-8/h6,8H,2-5H2,1H3
InChIKey
WXGKNIRSXCAEEP-UHFFFAOYSA-N
Compound name
(4-methylmorpholin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

250
Patents

131.09464 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.101916 127.2
[M+Na]+ 154.083858 133.3
[M-H]- 130.087364 128.3
[M+NH4]+ 149.128463 145.9
[M+K]+ 170.057798 133.8
[M+H-H2O]+ 114.091900 121.4
[M+HCOO]- 176.092841 145.1
[M+CH3COO]- 190.108491 168.4
[M+Na-2H]- 152.069306 133.8
[M]+ 131.09409142 124.2
[M]- 131.09518858 124.2
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

patents stripe