CID 16773658

2-methyl-4-[(3-methylphenyl)methoxy]aniline hydrochloride

Structural Information

Molecular Formula
C15H17NO
SMILES
CC1=CC(=CC=C1)COC2=CC(=C(C=C2)N)C
InChI
InChI=1S/C15H17NO/c1-11-4-3-5-13(8-11)10-17-14-6-7-15(16)12(2)9-14/h3-9H,10,16H2,1-2H3
InChIKey
LIKJHVTXEZOZHK-UHFFFAOYSA-N
Compound name
2-methyl-4-[(3-methylphenyl)methoxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.13101 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.13829 151.8
[M+Na]+ 250.12023 160.0
[M-H]- 226.12373 158.6
[M+NH4]+ 245.16483 169.9
[M+K]+ 266.09417 156.1
[M+H-H2O]+ 210.12827 144.6
[M+HCOO]- 272.12921 176.6
[M+CH3COO]- 286.14486 194.7
[M+Na-2H]- 248.10568 156.6
[M]+ 227.13046 152.2
[M]- 227.13156 152.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.