CID 14121182

Neopentyl glycol bis(4-aminophenyl) ether

Structural Information

Molecular Formula
C17H22N2O2
SMILES
CC(C)(COC1=CC=C(C=C1)N)COC2=CC=C(C=C2)N
InChI
InChI=1S/C17H22N2O2/c1-17(2,11-20-15-7-3-13(18)4-8-15)12-21-16-9-5-14(19)6-10-16/h3-10H,11-12,18-19H2,1-2H3
InChIKey
HPUJEBAZZTZOFL-UHFFFAOYSA-N
Compound name
4-[3-(4-aminophenoxy)-2,2-dimethylpropoxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1112
Patents

286.16812 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.175396 168.5
[M+Na]+ 309.157338 174.2
[M-H]- 285.160844 174.1
[M+NH4]+ 304.201943 183.1
[M+K]+ 325.131278 170.6
[M+H-H2O]+ 269.165380 160.5
[M+HCOO]- 331.166321 191.5
[M+CH3COO]- 345.181971 206.6
[M+Na-2H]- 307.142786 173.0
[M]+ 286.16757142 168.4
[M]- 286.16866858 168.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe