CID 16733

1-amino-2-methylnaphthalene

Structural Information

Molecular Formula

C₁₁H₁₁N

SMILES

CC1=C(C2=CC=CC=C2C=C1)N

InChI

InChI=1S/C11H11N/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-7H,12H2,1H3

InChIKey

JMBLSGAXSMOKPN-UHFFFAOYSA-N

Compound name

2-methylnaphthalen-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 677
Patents: 157.08914 Da
Monoisotopic Mass: 2.9
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]+	158.096416	130.6
[M+Na]+	180.078358	139.9
[M-H]-	156.081864	135.4
[M+NH4]+	175.122963	152.7
[M+K]+	196.052298	136.2
[M+H-H2O]+	140.086400	125.1
[M+HCOO]-	202.087341	155.0
[M+CH3COO]-	216.102991	145.0
[M+Na-2H]-	178.063806	139.1
[M]+	157.08859142	129.2
[M]-	157.08968858	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe