CID 105387

Butanamide, 4-hydroxy-n,n-bis(2-hydroxyethyl)-

Structural Information

Molecular Formula
C8H17NO4
SMILES
C(CC(=O)N(CCO)CCO)CO
InChI
InChI=1S/C8H17NO4/c10-5-1-2-8(13)9(3-6-11)4-7-12/h10-12H,1-7H2
InChIKey
VLVFFKKUHQEBBU-UHFFFAOYSA-N
Compound name
4-hydroxy-N,N-bis(2-hydroxyethyl)butanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

191.11575 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.123026 144.2
[M+Na]+ 214.104968 148.6
[M-H]- 190.108474 141.3
[M+NH4]+ 209.149573 161.9
[M+K]+ 230.078908 148.2
[M+H-H2O]+ 174.113010 138.7
[M+HCOO]- 236.113951 164.5
[M+CH3COO]- 250.129601 181.1
[M+Na-2H]- 212.090416 146.8
[M]+ 191.11520142 145.3
[M]- 191.11629858 145.3
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