CID 12370456

1005-19-2

Structural Information

Molecular Formula

C₉H₁₁N

SMILES

C1C(C2=CC=CC=C21)CN

InChI

InChI=1S/C9H11N/c10-6-8-5-7-3-1-2-4-9(7)8/h1-4,8H,5-6,10H2

InChIKey

UOQNRKZMXTYCNA-UHFFFAOYSA-N

Compound name

7-bicyclo[4.2.0]octa-1,3,5-trienylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 133.08914 Da
Monoisotopic Mass: 0.6
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]+	134.09642	123.9
[M+Na]+	156.07836	132.2
[M+NH4]+	151.12296	130.2
[M+K]+	172.05230	127.2
[M-H]-	132.08186	124.8
[M+Na-2H]-	154.06381	128.7
[M]+	133.08859	124.2
[M]-	133.08969	124.2

Literature stripe

literature stripe

Patent stripe

patents stripe