CID 58461027

3-hydroxy-2,2-dimethyl-n-propylpropanamide

Structural Information

Molecular Formula
C8H17NO2
SMILES
CCCNC(=O)C(C)(C)CO
InChI
InChI=1S/C8H17NO2/c1-4-5-9-7(11)8(2,3)6-10/h10H,4-6H2,1-3H3,(H,9,11)
InChIKey
PLXAWTRZKLDSEF-UHFFFAOYSA-N
Compound name
3-hydroxy-2,2-dimethyl-N-propylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

159.12593 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 137.8
[M+Na]+ 182.11515 143.4
[M-H]- 158.11865 136.6
[M+NH4]+ 177.15975 157.9
[M+K]+ 198.08909 142.9
[M+H-H2O]+ 142.12319 133.4
[M+HCOO]- 204.12413 158.6
[M+CH3COO]- 218.13978 178.9
[M+Na-2H]- 180.10060 142.9
[M]+ 159.12538 138.0
[M]- 159.12648 138.0
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