CID 3024359

2-(4-neopentylphenoxy)aniline

Structural Information

Molecular Formula
C17H21NO
SMILES
CC(C)(C)CC1=CC=C(C=C1)OC2=CC=CC=C2N
InChI
InChI=1S/C17H21NO/c1-17(2,3)12-13-8-10-14(11-9-13)19-16-7-5-4-6-15(16)18/h4-11H,12,18H2,1-3H3
InChIKey
OJQBKBWOUORGAL-UHFFFAOYSA-N
Compound name
2-[4-(2,2-dimethylpropyl)phenoxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.16231 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.16959 161.5
[M+Na]+ 278.15153 168.4
[M-H]- 254.15503 167.9
[M+NH4]+ 273.19613 178.3
[M+K]+ 294.12547 164.5
[M+H-H2O]+ 238.15957 154.3
[M+HCOO]- 300.16051 184.0
[M+CH3COO]- 314.17616 199.3
[M+Na-2H]- 276.13698 166.6
[M]+ 255.16176 161.7
[M]- 255.16286 161.7
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.