CID 22179647

(2-ethoxyethyl)urea

Structural Information

Molecular Formula
C5H12N2O2
SMILES
CCOCCNC(=O)N
InChI
InChI=1S/C5H12N2O2/c1-2-9-4-3-7-5(6)8/h2-4H2,1H3,(H3,6,7,8)
InChIKey
YCYFTJRVSBLIFK-UHFFFAOYSA-N
Compound name
2-ethoxyethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

132.08987 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.097146 127.6
[M+Na]+ 155.079088 133.6
[M-H]- 131.082594 127.5
[M+NH4]+ 150.123693 148.7
[M+K]+ 171.053028 133.9
[M+H-H2O]+ 115.087130 122.2
[M+HCOO]- 177.088071 152.8
[M+CH3COO]- 191.103721 176.4
[M+Na-2H]- 153.064536 133.2
[M]+ 132.08932142 127.2
[M]- 132.09041858 127.2
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

patents stripe