CID 90022432

2309444-14-0

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

C1COC2C1OC(C2)CN

InChI

InChI=1S/C7H13NO2/c8-4-5-3-7-6(10-5)1-2-9-7/h5-7H,1-4,8H2

InChIKey

AIVULVNSZWLGMH-UHFFFAOYSA-N

Compound name

2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 143.09464 Da
Monoisotopic Mass: -0.5
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]+	144.101916	129.0
[M+Na]+	166.083858	135.4
[M-H]-	142.087364	133.7
[M+NH4]+	161.128463	151.7
[M+K]+	182.057798	136.4
[M+H-H2O]+	126.091900	124.9
[M+HCOO]-	188.092841	150.0
[M+CH3COO]-	202.108491	173.7
[M+Na-2H]-	164.069306	134.1
[M]+	143.09409142	126.8
[M]-	143.09518858	126.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe