CID 137414

2-amino-p-cymene

Structural Information

Molecular Formula

C₁₀H₁₅N

SMILES

CC1=C(C=C(C=C1)C(C)C)N

InChI

InChI=1S/C10H15N/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7H,11H2,1-3H3

InChIKey

YKWALWNGEXPARQ-UHFFFAOYSA-N

Compound name

2-methyl-5-propan-2-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 258
Patents: 149.12045 Da
Monoisotopic Mass: 2.6
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]+	150.12773	132.6
[M+Na]+	172.10967	140.4
[M-H]-	148.11317	136.3
[M+NH4]+	167.15427	154.0
[M+K]+	188.08361	138.4
[M+H-H2O]+	132.11771	127.3
[M+HCOO]-	194.11865	156.3
[M+CH3COO]-	208.13430	181.6
[M+Na-2H]-	170.09512	136.9
[M]+	149.11990	131.3
[M]-	149.12100	131.3

Literature stripe

literature stripe

Patent stripe

patents stripe