CID 28618

17596-61-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

8
References

1184
Patents

137.08406 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.091336 128.1
[M+Na]+ 160.073278 134.4
[M-H]- 136.076784 129.9
[M+NH4]+ 155.117883 148.5
[M+K]+ 176.047218 132.4
[M+H-H2O]+ 120.081320 122.6
[M+HCOO]- 182.082261 151.2
[M+CH3COO]- 196.097911 172.7
[M+Na-2H]- 158.058726 134.3
[M]+ 137.08351142 124.8
[M]- 137.08460858 124.8
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