CID 4176318

5-tert-butyl-o-anisidine

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)N

InChI

InChI=1S/C11H17NO/c1-11(2,3)8-5-6-10(13-4)9(12)7-8/h5-7H,12H2,1-4H3

InChIKey

DLTLFDQLMFMTRQ-UHFFFAOYSA-N

Compound name

5-tert-butyl-2-methoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 549
Patents: 179.13101 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]+	180.13829	140.4
[M+Na]+	202.12023	148.6
[M-H]-	178.12373	144.2
[M+NH4]+	197.16483	160.8
[M+K]+	218.09417	146.8
[M+H-H2O]+	162.12827	135.2
[M+HCOO]-	224.12921	163.4
[M+CH3COO]-	238.14486	185.5
[M+Na-2H]-	200.10568	146.1
[M]+	179.13046	141.0
[M]-	179.13156	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe