CID 19627413

(2-(cyclopropylmethoxy)phenyl)methanamine

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

C1CC1COC2=CC=CC=C2CN

InChI

InChI=1S/C11H15NO/c12-7-10-3-1-2-4-11(10)13-8-9-5-6-9/h1-4,9H,5-8,12H2

InChIKey

LACVTFBJIFJJFZ-UHFFFAOYSA-N

Compound name

[2-(cyclopropylmethoxy)phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 177.11537 Da
Monoisotopic Mass: 1.5
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]+	178.12265	135.5
[M+Na]+	200.10459	144.1
[M-H]-	176.10809	142.6
[M+NH4]+	195.14919	150.5
[M+K]+	216.07853	140.9
[M+H-H2O]+	160.11263	128.8
[M+HCOO]-	222.11357	160.7
[M+CH3COO]-	236.12922	186.4
[M+Na-2H]-	198.09004	142.0
[M]+	177.11482	137.4
[M]-	177.11592	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe