CID 106524

68083-83-0

Structural Information

Molecular Formula
C7H15NO3
SMILES
CN(CCO)C(=O)CCCO
InChI
InChI=1S/C7H15NO3/c1-8(4-6-10)7(11)3-2-5-9/h9-10H,2-6H2,1H3
InChIKey
DORXJCORWAVZTD-UHFFFAOYSA-N
Compound name
4-hydroxy-N-(2-hydroxyethyl)-N-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

161.1052 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.112476 136.7
[M+Na]+ 184.094418 142.0
[M-H]- 160.097924 135.4
[M+NH4]+ 179.139023 156.4
[M+K]+ 200.068358 142.3
[M+H-H2O]+ 144.102460 131.5
[M+HCOO]- 206.103401 158.6
[M+CH3COO]- 220.119051 178.5
[M+Na-2H]- 182.079866 140.3
[M]+ 161.10465142 137.8
[M]- 161.10574858 137.8
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