CID 84107092

5-(aminomethyl)-4-methylmorpholin-3-one

Structural Information

Molecular Formula
C6H12N2O2
SMILES
CN1C(COCC1=O)CN
InChI
InChI=1S/C6H12N2O2/c1-8-5(2-7)3-10-4-6(8)9/h5H,2-4,7H2,1H3
InChIKey
TZRKYCCNZAAKMF-UHFFFAOYSA-N
Compound name
5-(aminomethyl)-4-methylmorpholin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.08987 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.09715 130.1
[M+Na]+ 167.07909 137.0
[M-H]- 143.08259 132.4
[M+NH4]+ 162.12369 148.6
[M+K]+ 183.05303 137.3
[M+H-H2O]+ 127.08713 123.8
[M+HCOO]- 189.08807 150.0
[M+CH3COO]- 203.10372 175.6
[M+Na-2H]- 165.06454 135.6
[M]+ 144.08932 126.9
[M]- 144.09042 126.9
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.