CID 5530

Tranylcypromine

Structural Information

Molecular Formula

C₉H₁₁N

SMILES

C1C(C1N)C2=CC=CC=C2

InChI

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

InChIKey

AELCINSCMGFISI-UHFFFAOYSA-N

Compound name

2-phenylcyclopropan-1-amine

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 2104
References: 22429
Patents: 133.08914 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]+	134.09642	123.0
[M+Na]+	156.07836	132.6
[M-H]-	132.08186	130.6
[M+NH4]+	151.12296	139.8
[M+K]+	172.05230	129.5
[M+H-H2O]+	116.08640	116.9
[M+HCOO]-	178.08734	148.7
[M+CH3COO]-	192.10299	178.6
[M+Na-2H]-	154.06381	130.8
[M]+	133.08859	122.9
[M]-	133.08969	122.9

Literature stripe

literature stripe

Patent stripe

patents stripe