CID 80191

N-(2-propylpentanoyl)urea

Structural Information

Molecular Formula
C9H18N2O2
SMILES
CCCC(CCC)C(=O)NC(=O)N
InChI
InChI=1S/C9H18N2O2/c1-3-5-7(6-4-2)8(12)11-9(10)13/h7H,3-6H2,1-2H3,(H3,10,11,12,13)
InChIKey
PZMMWWLCCGJACT-UHFFFAOYSA-N
Compound name
N-carbamoyl-2-propylpentanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

9
Patents

186.13683 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.14411 146.3
[M+Na]+ 209.12605 150.6
[M-H]- 185.12955 145.7
[M+NH4]+ 204.17065 165.1
[M+K]+ 225.09999 150.3
[M+H-H2O]+ 169.13409 140.4
[M+HCOO]- 231.13503 168.4
[M+CH3COO]- 245.15068 188.8
[M+Na-2H]- 207.11150 147.2
[M]+ 186.13628 145.4
[M]- 186.13738 145.4
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