CID 91333

N,n-bis(2-hydroxyethyl)formamide

Structural Information

Molecular Formula

C₅H₁₁NO₃

SMILES

C(CO)N(CCO)C=O

InChI

InChI=1S/C5H11NO3/c7-3-1-6(5-9)2-4-8/h5,7-8H,1-4H2

InChIKey

AGQSGSYOSSBGLI-UHFFFAOYSA-N

Compound name

N,N-bis(2-hydroxyethyl)formamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 433
Patents: 133.0739 Da
Monoisotopic Mass: -1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	134.081176	126.6
[M+Na]+	156.063118	132.9
[M-H]-	132.066624	125.6
[M+NH4]+	151.107723	147.4
[M+K]+	172.037058	133.2
[M+H-H2O]+	116.071160	121.7
[M+HCOO]-	178.072101	150.1
[M+CH3COO]-	192.087751	172.2
[M+Na-2H]-	154.048566	132.6
[M]+	133.07335142	127.7
[M]-	133.07444858	127.7

Literature stripe

literature stripe

Patent stripe

patents stripe