CID 217015

1-ethyl-3-propylurea

Structural Information

Molecular Formula
C6H14N2O
SMILES
CCCNC(=O)NCC
InChI
InChI=1S/C6H14N2O/c1-3-5-8-6(9)7-4-2/h3-5H2,1-2H3,(H2,7,8,9)
InChIKey
NKIKBXIPPUUSDP-UHFFFAOYSA-N
Compound name
1-ethyl-3-propylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

250
Patents

130.11061 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.11789 129.6
[M+Na]+ 153.09983 135.2
[M-H]- 129.10333 129.9
[M+NH4]+ 148.14443 151.1
[M+K]+ 169.07377 135.2
[M+H-H2O]+ 113.10787 124.2
[M+HCOO]- 175.10881 154.8
[M+CH3COO]- 189.12446 177.4
[M+Na-2H]- 151.08528 135.7
[M]+ 130.11006 129.1
[M]- 130.11116 129.1
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