CID 22325125

91245-61-3

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

C1CC1(CC2=CC=CC=C2)CN

InChI

InChI=1S/C11H15N/c12-9-11(6-7-11)8-10-4-2-1-3-5-10/h1-5H,6-9,12H2

InChIKey

MIVHNNWMFIPWIF-UHFFFAOYSA-N

Compound name

(1-benzylcyclopropyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 161.12045 Da
Monoisotopic Mass: 1.8
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]+	162.12773	133.0
[M+Na]+	184.10967	141.5
[M-H]-	160.11317	140.2
[M+NH4]+	179.15427	150.3
[M+K]+	200.08361	139.0
[M+H-H2O]+	144.11771	127.2
[M+HCOO]-	206.11865	157.7
[M+CH3COO]-	220.13430	183.0
[M+Na-2H]-	182.09512	141.2
[M]+	161.11990	133.5
[M]-	161.12100	133.5

Literature stripe

literature stripe

Patent stripe

patents stripe