CID 15081

2,6-dimethyl-4-nitrosomorpholine

Structural Information

Molecular Formula
C6H12N2O2
SMILES
CC1CN(CC(O1)C)N=O
InChI
InChI=1S/C6H12N2O2/c1-5-3-8(7-9)4-6(2)10-5/h5-6H,3-4H2,1-2H3
InChIKey
DPYMAXOKJUBANR-UHFFFAOYSA-N
Compound name
2,6-dimethyl-4-nitrosomorpholine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

41
References

32
Patents

144.08987 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.097146 128.5
[M+Na]+ 167.079088 135.8
[M-H]- 143.082594 132.7
[M+NH4]+ 162.123693 148.0
[M+K]+ 183.053028 137.5
[M+H-H2O]+ 127.087130 122.0
[M+HCOO]- 189.088071 150.6
[M+CH3COO]- 203.103721 178.8
[M+Na-2H]- 165.064536 135.7
[M]+ 144.08932142 128.2
[M]- 144.09041858 128.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe