CID 21895807

5-amino-2-ethylphenol

Structural Information

Molecular Formula
C8H11NO
SMILES
CCC1=C(C=C(C=C1)N)O
InChI
InChI=1S/C8H11NO/c1-2-6-3-4-7(9)5-8(6)10/h3-5,10H,2,9H2,1H3
InChIKey
SZNMBMXMWVVCOE-UHFFFAOYSA-N
Compound name
5-amino-2-ethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1638
Patents

137.08406 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.091336 127.0
[M+Na]+ 160.073278 135.5
[M-H]- 136.076784 129.5
[M+NH4]+ 155.117883 148.1
[M+K]+ 176.047218 133.0
[M+H-H2O]+ 120.081320 121.9
[M+HCOO]- 182.082261 151.0
[M+CH3COO]- 196.097911 174.1
[M+Na-2H]- 158.058726 133.1
[M]+ 137.08351142 125.1
[M]- 137.08460858 125.1
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