CID 344299

4-hydroxy-4'-methyldiphenylamine

Structural Information

Molecular Formula
C13H13NO
SMILES
CC1=CC=C(C=C1)NC2=CC=C(C=C2)O
InChI
InChI=1S/C13H13NO/c1-10-2-4-11(5-3-10)14-12-6-8-13(15)9-7-12/h2-9,14-15H,1H3
InChIKey
PJCNSVHWHHVSMK-UHFFFAOYSA-N
Compound name
4-(4-methylanilino)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

221
Patents

199.09972 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.10700 142.3
[M+Na]+ 222.08894 150.0
[M-H]- 198.09244 148.2
[M+NH4]+ 217.13354 160.7
[M+K]+ 238.06288 145.9
[M+H-H2O]+ 182.09698 135.5
[M+HCOO]- 244.09792 166.8
[M+CH3COO]- 258.11357 185.6
[M+Na-2H]- 220.07439 149.5
[M]+ 199.09917 140.7
[M]- 199.10027 140.7
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