CID 13405454

91956-33-1

Structural Information

Molecular Formula

C₁₃H₁₅N

SMILES

C1C2C=CC1C(C2C3=CC=CC=C3)N

InChI

InChI=1S/C13H15N/c14-13-11-7-6-10(8-11)12(13)9-4-2-1-3-5-9/h1-7,10-13H,8,14H2

InChIKey

JBNWXEDZMGVZJC-UHFFFAOYSA-N

Compound name

3-phenylbicyclo[2.2.1]hept-5-en-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 185.12045 Da
Monoisotopic Mass: 2.0
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]+	186.12773	140.5
[M+Na]+	208.10967	148.3
[M-H]-	184.11317	146.6
[M+NH4]+	203.15427	165.2
[M+K]+	224.08361	144.2
[M+H-H2O]+	168.11771	135.2
[M+HCOO]-	230.11865	164.1
[M+CH3COO]-	244.13430	154.2
[M+Na-2H]-	206.09512	144.1
[M]+	185.11990	138.0
[M]-	185.12100	138.0

Literature stripe

literature stripe

Patent stripe

patents stripe