CID 13695

9-aminophenanthrene

Structural Information

Molecular Formula

C₁₄H₁₁N

SMILES

C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)N

InChI

InChI=1S/C14H11N/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H,15H2

InChIKey

KIHQWOBUUIPWAN-UHFFFAOYSA-N

Compound name

phenanthren-9-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 16
References: 810
Patents: 193.08914 Da
Monoisotopic Mass: 3.7
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]+	194.09642	137.9
[M+Na]+	216.07836	148.3
[M-H]-	192.08186	143.7
[M+NH4]+	211.12296	159.4
[M+K]+	232.05230	142.9
[M+H-H2O]+	176.08640	131.5
[M+HCOO]-	238.08734	162.4
[M+CH3COO]-	252.10299	152.1
[M+Na-2H]-	214.06381	149.0
[M]+	193.08859	137.7
[M]-	193.08969	137.7

Literature stripe

literature stripe

Patent stripe

patents stripe