CID 44150

62732-43-8

Structural Information

Molecular Formula

C₁₁H₁₄N₂

SMILES

C1CC2=C(C1)N=C3CCCC3=C2N

InChI

InChI=1S/C11H14N2/c12-11-7-3-1-5-9(7)13-10-6-2-4-8(10)11/h1-6H2,(H2,12,13)

InChIKey

GCDWZOSVQXZKLZ-UHFFFAOYSA-N

Compound name

2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 53
Patents: 174.11569 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]+	175.12297	137.0
[M+Na]+	197.10491	145.3
[M-H]-	173.10841	140.8
[M+NH4]+	192.14951	161.3
[M+K]+	213.07885	141.6
[M+H-H2O]+	157.11295	131.1
[M+HCOO]-	219.11389	158.5
[M+CH3COO]-	233.12954	150.4
[M+Na-2H]-	195.09036	141.0
[M]+	174.11514	133.6
[M]-	174.11624	133.6

Literature stripe

literature stripe

Patent stripe

patents stripe