CID 112058

10517-50-7

Structural Information

Molecular Formula
C8H11NO
SMILES
CC(C1=CC=CC=C1N)O
InChI
InChI=1S/C8H11NO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,9H2,1H3
InChIKey
WBIYLDMSLIXZJK-UHFFFAOYSA-N
Compound name
1-(2-aminophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1990
Patents

137.08406 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.091336 127.8
[M+Na]+ 160.073278 135.1
[M-H]- 136.076784 130.0
[M+NH4]+ 155.117883 148.5
[M+K]+ 176.047218 133.1
[M+H-H2O]+ 120.081320 122.6
[M+HCOO]- 182.082261 150.9
[M+CH3COO]- 196.097911 173.8
[M+Na-2H]- 158.058726 133.3
[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