CID 36481

33444-36-9

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

CC1=C2C(=CC=C1)CC(O2)CN

InChI

InChI=1S/C10H13NO/c1-7-3-2-4-8-5-9(6-11)12-10(7)8/h2-4,9H,5-6,11H2,1H3

InChIKey

JCFLCCBVFAILMI-UHFFFAOYSA-N

Compound name

(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 163.09972 Da
Monoisotopic Mass: 1.4
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]+	164.106996	133.4
[M+Na]+	186.088938	142.0
[M-H]-	162.092444	138.5
[M+NH4]+	181.133543	155.7
[M+K]+	202.062878	140.3
[M+H-H2O]+	146.096980	128.4
[M+HCOO]-	208.097921	156.6
[M+CH3COO]-	222.113571	180.4
[M+Na-2H]-	184.074386	139.7
[M]+	163.09917142	132.9
[M]-	163.10026858	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe