CID 88129

N-hydroxy-2-propylpentanamide

Structural Information

Molecular Formula
C8H17NO2
SMILES
CCCC(CCC)C(=O)NO
InChI
InChI=1S/C8H17NO2/c1-3-5-7(6-4-2)8(10)9-11/h7,11H,3-6H2,1-2H3,(H,9,10)
InChIKey
ROJGIRXXBBBMPL-UHFFFAOYSA-N
Compound name
N-hydroxy-2-propylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

98
Patents

159.12593 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 138.7
[M+Na]+ 182.11515 143.7
[M-H]- 158.11865 137.3
[M+NH4]+ 177.15975 158.6
[M+K]+ 198.08909 143.2
[M+H-H2O]+ 142.12319 133.6
[M+HCOO]- 204.12413 160.0
[M+CH3COO]- 218.13978 179.4
[M+Na-2H]- 180.10060 141.8
[M]+ 159.12538 138.8
[M]- 159.12648 138.8
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