CID 79282

2-(o-aminophenyl)ethanol

Structural Information

Molecular Formula
C8H11NO
SMILES
C1=CC=C(C(=C1)CCO)N
InChI
InChI=1S/C8H11NO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,10H,5-6,9H2
InChIKey
ILDXSRFKXABMHH-UHFFFAOYSA-N
Compound name
2-(2-aminophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

3136
Patents

137.08406 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.091336 127.2
[M+Na]+ 160.073278 134.7
[M-H]- 136.076784 129.3
[M+NH4]+ 155.117883 148.0
[M+K]+ 176.047218 132.2
[M+H-H2O]+ 120.081320 121.9
[M+HCOO]- 182.082261 151.3
[M+CH3COO]- 196.097911 172.9
[M+Na-2H]- 158.058726 134.0
[M]+ 137.08351142 124.9
[M]- 137.08460858 124.9
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