CID 76893

2-aminophenanthrene

Structural Information

Molecular Formula

C₁₄H₁₁N

SMILES

C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)N

InChI

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

InChIKey

ZEAWSFHWVLOENK-UHFFFAOYSA-N

Compound name

phenanthren-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 328
Patents: 193.08914 Da
Monoisotopic Mass: 3.5
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]+	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