CID 12347985

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

302
Patents

137.08406 Da
Monoisotopic Mass

0.9
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

No literature data available for this compound.

Patent stripe

patents stripe