CID 217016

Urea, 1-ethyl-3-isobutyl-

Structural Information

Molecular Formula
C7H16N2O
SMILES
CCNC(=O)NCC(C)C
InChI
InChI=1S/C7H16N2O/c1-4-8-7(10)9-5-6(2)3/h6H,4-5H2,1-3H3,(H2,8,9,10)
InChIKey
OSZOVTMNVYQZRC-UHFFFAOYSA-N
Compound name
1-ethyl-3-(2-methylpropyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

144.12627 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.133546 135.0
[M+Na]+ 167.115488 140.0
[M-H]- 143.118994 135.2
[M+NH4]+ 162.160093 155.9
[M+K]+ 183.089428 140.2
[M+H-H2O]+ 127.123530 129.5
[M+HCOO]- 189.124471 158.9
[M+CH3COO]- 203.140121 181.3
[M+Na-2H]- 165.100936 139.2
[M]+ 144.12572142 134.2
[M]- 144.12681858 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

patents stripe