CID 85753

1-(4-aminophenyl)ethanol

Structural Information

Molecular Formula
C8H11NO
SMILES
CC(C1=CC=C(C=C1)N)O
InChI
InChI=1S/C8H11NO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,9H2,1H3
InChIKey
JDEYBJHOTWGYFE-UHFFFAOYSA-N
Compound name
1-(4-aminophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

816
Patents

137.08406 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 127.6
[M+Na]+ 160.07328 139.2
[M+NH4]+ 155.11788 136.3
[M+K]+ 176.04722 133.8
[M-H]- 136.07678 130.0
[M+Na-2H]- 158.05873 134.2
[M]+ 137.08351 129.8
[M]- 137.08461 129.8
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