CID 5169353

1-methoxy-1,3,3-trimethylurea

Structural Information

Molecular Formula
C5H12N2O2
SMILES
CN(C)C(=O)N(C)OC
InChI
InChI=1S/C5H12N2O2/c1-6(2)5(8)7(3)9-4/h1-4H3
InChIKey
VTLOQWKTMLAQKF-UHFFFAOYSA-N
Compound name
1-methoxy-1,3,3-trimethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

132.08987 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.097146 127.4
[M+Na]+ 155.079088 133.8
[M-H]- 131.082594 130.9
[M+NH4]+ 150.123693 150.2
[M+K]+ 171.053028 137.4
[M+H-H2O]+ 115.087130 121.8
[M+HCOO]- 177.088071 154.3
[M+CH3COO]- 191.103721 183.5
[M+Na-2H]- 153.064536 132.6
[M]+ 132.08932142 130.6
[M]- 132.09041858 130.6
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