CID 81794132

2418706-79-1

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

CC1=CC(=C(C=C1)CN)C2CC2

InChI

InChI=1S/C11H15N/c1-8-2-3-10(7-12)11(6-8)9-4-5-9/h2-3,6,9H,4-5,7,12H2,1H3

InChIKey

VFICJGPSVLSLSE-UHFFFAOYSA-N

Compound name

(2-cyclopropyl-4-methylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 161.12045 Da
Monoisotopic Mass: 2.1
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]+	162.127726	131.4
[M+Na]+	184.109668	141.0
[M-H]-	160.113174	139.0
[M+NH4]+	179.154273	147.5
[M+K]+	200.083608	137.4
[M+H-H2O]+	144.117710	125.2
[M+HCOO]-	206.118651	156.4
[M+CH3COO]-	220.134301	185.5
[M+Na-2H]-	182.095116	137.4
[M]+	161.11990142	132.4
[M]-	161.12099858	132.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe