CID 12347985

(s)-3-(1-aminoethyl)phenol

Structural Information

Molecular Formula
C8H11NO
SMILES
C[C@@H](C1=CC(=CC=C1)O)N
InChI
InChI=1S/C8H11NO/c1-6(9)7-3-2-4-8(10)5-7/h2-6,10H,9H2,1H3/t6-/m0/s1
InChIKey
WFRNDUQAIZJRPZ-LURJTMIESA-N
Compound name
3-[(1S)-1-aminoethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

300
Patents

137.08406 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 127.8
[M+Na]+ 160.07328 135.1
[M-H]- 136.07678 130.0
[M+NH4]+ 155.11788 148.5
[M+K]+ 176.04722 133.1
[M+H-H2O]+ 120.08132 122.6
[M+HCOO]- 182.08226 150.9
[M+CH3COO]- 196.09791 173.8
[M+Na-2H]- 158.05873 133.3
[M]+ 137.08351 124.9
[M]- 137.08461 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

No literature data available for this compound.

Patent stripe

patents stripe