CID 95670

1-butyl-3-ethylurea

Structural Information

Molecular Formula
C7H16N2O
SMILES
CCCCNC(=O)NCC
InChI
InChI=1S/C7H16N2O/c1-3-5-6-9-7(10)8-4-2/h3-6H2,1-2H3,(H2,8,9,10)
InChIKey
BFLWAUWLGJKDMJ-UHFFFAOYSA-N
Compound name
1-butyl-3-ethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

144.12627 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.13355 134.1
[M+Na]+ 167.11549 139.4
[M-H]- 143.11899 134.2
[M+NH4]+ 162.16009 155.1
[M+K]+ 183.08943 139.1
[M+H-H2O]+ 127.12353 128.6
[M+HCOO]- 189.12447 159.0
[M+CH3COO]- 203.14012 180.4
[M+Na-2H]- 165.10094 139.7
[M]+ 144.12572 134.0
[M]- 144.12682 134.0
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