CID 8355

118-31-0

Structural Information

Molecular Formula

C₁₁H₁₁N

SMILES

C1=CC=C2C(=C1)C=CC=C2CN

InChI

InChI=1S/C11H11N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8,12H2

InChIKey

NVSYANRBXPURRQ-UHFFFAOYSA-N

Compound name

naphthalen-1-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 11
References: 4813
Patents: 157.08914 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]+	158.096416	130.6
[M+Na]+	180.078358	138.9
[M-H]-	156.081864	134.9
[M+NH4]+	175.122963	152.3
[M+K]+	196.052298	135.2
[M+H-H2O]+	140.086400	124.8
[M+HCOO]-	202.087341	155.0
[M+CH3COO]-	216.102991	144.6
[M+Na-2H]-	178.063806	139.9
[M]+	157.08859142	128.8
[M]-	157.08968858	128.8

Literature stripe

literature stripe

Patent stripe

patents stripe