CID 19962452

1,3-diethyl-1,3-dimethylurea

Structural Information

Molecular Formula
C7H16N2O
SMILES
CCN(C)C(=O)N(C)CC
InChI
InChI=1S/C7H16N2O/c1-5-8(3)7(10)9(4)6-2/h5-6H2,1-4H3
InChIKey
CJKFVHIAEZFRKY-UHFFFAOYSA-N
Compound name
1,3-diethyl-1,3-dimethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

144.12627 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.133546 134.0
[M+Na]+ 167.115488 139.7
[M-H]- 143.118994 137.3
[M+NH4]+ 162.160093 156.5
[M+K]+ 183.089428 142.3
[M+H-H2O]+ 127.123530 128.3
[M+HCOO]- 189.124471 160.0
[M+CH3COO]- 203.140121 187.6
[M+Na-2H]- 165.100936 138.2
[M]+ 144.12572142 136.6
[M]- 144.12681858 136.6
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