CID 20616114

3-isopropyl-5-methylaniline hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₅N

SMILES

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

InChI

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

InChIKey

HQRMXTLFAMXXGD-UHFFFAOYSA-N

Compound name

3-methyl-5-propan-2-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 149.12045 Da
Monoisotopic Mass: 2.7
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]+	150.127726	132.6
[M+Na]+	172.109668	140.4
[M-H]-	148.113174	136.3
[M+NH4]+	167.154273	154.0
[M+K]+	188.083608	138.4
[M+H-H2O]+	132.117710	127.3
[M+HCOO]-	194.118651	156.3
[M+CH3COO]-	208.134301	181.6
[M+Na-2H]-	170.095116	136.9
[M]+	149.11990142	131.3
[M]-	149.12099858	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe