CID 115616984

1,3-dimethyl-1-(oxolan-3-yl)urea

Structural Information

Molecular Formula
C7H14N2O2
SMILES
CNC(=O)N(C)C1CCOC1
InChI
InChI=1S/C7H14N2O2/c1-8-7(10)9(2)6-3-4-11-5-6/h6H,3-5H2,1-2H3,(H,8,10)
InChIKey
WDHYJGNHKLIYLA-UHFFFAOYSA-N
Compound name
1,3-dimethyl-1-(oxolan-3-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.10553 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.11281 135.7
[M+Na]+ 181.09475 140.2
[M-H]- 157.09825 140.8
[M+NH4]+ 176.13935 156.8
[M+K]+ 197.06869 142.5
[M+H-H2O]+ 141.10279 129.5
[M+HCOO]- 203.10373 159.9
[M+CH3COO]- 217.11938 182.0
[M+Na-2H]- 179.08020 140.2
[M]+ 158.10498 134.2
[M]- 158.10608 134.2
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

No patent data available for this compound.