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

20
Patents

132.08987 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.09715 127.4
[M+Na]+ 155.07909 133.8
[M-H]- 131.08259 130.9
[M+NH4]+ 150.12369 150.2
[M+K]+ 171.05303 137.4
[M+H-H2O]+ 115.08713 121.8
[M+HCOO]- 177.08807 154.3
[M+CH3COO]- 191.10372 183.5
[M+Na-2H]- 153.06454 132.6
[M]+ 132.08932 130.6
[M]- 132.09042 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