CID 231285

Capuride

Structural Information

Molecular Formula
C9H18N2O2
SMILES
CCC(C)C(CC)C(=O)NC(=O)N
InChI
InChI=1S/C9H18N2O2/c1-4-6(3)7(5-2)8(12)11-9(10)13/h6-7H,4-5H2,1-3H3,(H3,10,11,12,13)
InChIKey
HLSLSXBFTXUKCY-UHFFFAOYSA-N
Compound name
N-carbamoyl-2-ethyl-3-methylpentanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

3589
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 146.7
[M+Na]+ 209.12605 150.8
[M-H]- 185.12955 146.2
[M+NH4]+ 204.17065 165.5
[M+K]+ 225.09999 151.1
[M+H-H2O]+ 169.13409 141.0
[M+HCOO]- 231.13503 167.8
[M+CH3COO]- 245.15068 189.7
[M+Na-2H]- 207.11150 146.3
[M]+ 186.13628 145.1
[M]- 186.13738 145.1
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