CID 103376826

2-{[3-(aminomethyl)oxolan-3-yl]oxy}ethan-1-ol

Structural Information

Molecular Formula

C₇H₁₅NO₃

SMILES

C1COCC1(CN)OCCO

InChI

InChI=1S/C7H15NO3/c8-5-7(11-4-2-9)1-3-10-6-7/h9H,1-6,8H2

InChIKey

VQICZVTXUISKQG-UHFFFAOYSA-N

Compound name

2-[3-(aminomethyl)oxolan-3-yl]oxyethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 161.1052 Da
Monoisotopic Mass: -1.7
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]+	162.112476	133.5
[M+Na]+	184.094418	139.0
[M-H]-	160.097924	135.3
[M+NH4]+	179.139023	155.1
[M+K]+	200.068358	139.3
[M+H-H2O]+	144.102460	128.9
[M+HCOO]-	206.103401	155.0
[M+CH3COO]-	220.119051	173.3
[M+Na-2H]-	182.079866	139.6
[M]+	161.10465142	132.0
[M]-	161.10574858	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe