CID 199195

(1-ethylcyclopentyl)urea

Structural Information

Molecular Formula
C8H16N2O
SMILES
CCC1(CCCC1)NC(=O)N
InChI
InChI=1S/C8H16N2O/c1-2-8(10-7(9)11)5-3-4-6-8/h2-6H2,1H3,(H3,9,10,11)
InChIKey
ZVELGQJLEWIYHZ-UHFFFAOYSA-N
Compound name
(1-ethylcyclopentyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

156.12627 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.13355 135.2
[M+Na]+ 179.11549 140.0
[M-H]- 155.11899 137.8
[M+NH4]+ 174.16009 158.7
[M+K]+ 195.08943 139.1
[M+H-H2O]+ 139.12353 130.1
[M+HCOO]- 201.12447 158.6
[M+CH3COO]- 215.14012 179.1
[M+Na-2H]- 177.10094 139.2
[M]+ 156.12572 130.2
[M]- 156.12682 130.2
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