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
2
Annotation Hits

0
References

58
Patents

159.12593 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.133206 137.8
[M+Na]+ 182.115148 143.4
[M-H]- 158.118654 136.6
[M+NH4]+ 177.159753 157.9
[M+K]+ 198.089088 142.9
[M+H-H2O]+ 142.123190 133.4
[M+HCOO]- 204.124131 158.6
[M+CH3COO]- 218.139781 178.9
[M+Na-2H]- 180.100596 142.9
[M]+ 159.12538142 138.0
[M]- 159.12647858 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