CID 16727060

890408-75-0

Structural Information

Molecular Formula

C₁₂H₁₅N

SMILES

C1CC1C2CC2C3=CC=CC=C3N

InChI

InChI=1S/C12H15N/c13-12-4-2-1-3-9(12)11-7-10(11)8-5-6-8/h1-4,8,10-11H,5-7,13H2

InChIKey

WRBFUJVNYHEZAL-UHFFFAOYSA-N

Compound name

2-(2-cyclopropylcyclopropyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 330
Patents: 173.12045 Da
Monoisotopic Mass: 3.0
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]+	174.12773	140.1
[M+Na]+	196.10967	147.9
[M-H]-	172.11317	149.6
[M+NH4]+	191.15427	148.9
[M+K]+	212.08361	145.4
[M+H-H2O]+	156.11771	134.1
[M+HCOO]-	218.11865	162.0
[M+CH3COO]-	232.13430	151.2
[M+Na-2H]-	194.09512	144.0
[M]+	173.11990	141.5
[M]-	173.12100	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe