CID 66967084

709651-54-7

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

CC1=C(C2=CC=CC=C2O1)CNC

InChI

InChI=1S/C11H13NO/c1-8-10(7-12-2)9-5-3-4-6-11(9)13-8/h3-6,12H,7H2,1-2H3

InChIKey

QVBFBLJFXALUTB-UHFFFAOYSA-N

Compound name

N-methyl-1-(2-methyl-1-benzofuran-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 175.09972 Da
Monoisotopic Mass: 2.1
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]+	176.10700	135.0
[M+Na]+	198.08894	145.2
[M-H]-	174.09244	141.2
[M+NH4]+	193.13354	157.3
[M+K]+	214.06288	143.3
[M+H-H2O]+	158.09698	129.7
[M+HCOO]-	220.09792	161.4
[M+CH3COO]-	234.11357	183.5
[M+Na-2H]-	196.07439	143.8
[M]+	175.09917	138.8
[M]-	175.10027	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe