CID 80181790

1432041-34-3

Structural Information

Molecular Formula

C₁₁H₁₇NO₂

SMILES

CC1=CC=C(O1)C(C2(CCCO2)C)N

InChI

InChI=1S/C11H17NO2/c1-8-4-5-9(14-8)10(12)11(2)6-3-7-13-11/h4-5,10H,3,6-7,12H2,1-2H3

InChIKey

YSSOSLLMPJZTLY-UHFFFAOYSA-N

Compound name

(5-methylfuran-2-yl)-(2-methyloxolan-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 195.12593 Da
Monoisotopic Mass: 0.9
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]+	196.13321	143.9
[M+Na]+	218.11515	150.2
[M-H]-	194.11865	151.4
[M+NH4]+	213.15975	165.4
[M+K]+	234.08909	150.9
[M+H-H2O]+	178.12319	139.4
[M+HCOO]-	240.12413	165.7
[M+CH3COO]-	254.13978	183.9
[M+Na-2H]-	216.10060	147.2
[M]+	195.12538	143.0
[M]-	195.12648	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe