CID 22340888

957761-25-0

Structural Information

Molecular Formula

C₁₄H₂₃N

SMILES

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

InChI

InChI=1S/C14H23N/c1-10(2)8-12-6-5-7-13(14(12)15)9-11(3)4/h5-7,10-11H,8-9,15H2,1-4H3

InChIKey

PSIJIENWURFNAS-UHFFFAOYSA-N

Compound name

2,6-bis(2-methylpropyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 86
Patents: 205.18304 Da
Monoisotopic Mass: 4.4
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]+	206.19032	151.6
[M+Na]+	228.17226	157.4
[M-H]-	204.17576	154.6
[M+NH4]+	223.21686	170.6
[M+K]+	244.14620	154.9
[M+H-H2O]+	188.18030	145.5
[M+HCOO]-	250.18124	172.9
[M+CH3COO]-	264.19689	194.7
[M+Na-2H]-	226.15771	152.4
[M]+	205.18249	151.0
[M]-	205.18359	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe