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
1
Annotation Hits

0
References

14
Patents

191.11575 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.12303 144.2
[M+Na]+ 214.10497 148.6
[M-H]- 190.10847 141.3
[M+NH4]+ 209.14957 161.9
[M+K]+ 230.07891 148.2
[M+H-H2O]+ 174.11301 138.7
[M+HCOO]- 236.11395 164.5
[M+CH3COO]- 250.12960 181.1
[M+Na-2H]- 212.09042 146.8
[M]+ 191.11520 145.3
[M]- 191.11630 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