CID 110255

N,n-bis(2-hydroxyethyl)hexanamide

Structural Information

Molecular Formula
C10H21NO3
SMILES
CCCCCC(=O)N(CCO)CCO
InChI
InChI=1S/C10H21NO3/c1-2-3-4-5-10(14)11(6-8-12)7-9-13/h12-13H,2-9H2,1H3
InChIKey
JTLQQZSDVWPHLD-UHFFFAOYSA-N
Compound name
N,N-bis(2-hydroxyethyl)hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

82
Patents

203.15215 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.15943 150.5
[M+Na]+ 226.14137 154.6
[M-H]- 202.14487 148.7
[M+NH4]+ 221.18597 168.6
[M+K]+ 242.11531 154.1
[M+H-H2O]+ 186.14941 144.7
[M+HCOO]- 248.15035 171.4
[M+CH3COO]- 262.16600 187.5
[M+Na-2H]- 224.12682 152.5
[M]+ 203.15160 152.8
[M]- 203.15270 152.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe