CID 24748050

4-(2-aminoethyl)-2-ethylphenol

Structural Information

Molecular Formula
C10H15NO
SMILES
CCC1=C(C=CC(=C1)CCN)O
InChI
InChI=1S/C10H15NO/c1-2-9-7-8(5-6-11)3-4-10(9)12/h3-4,7,12H,2,5-6,11H2,1H3
InChIKey
LDAFQVRTSOETPE-UHFFFAOYSA-N
Compound name
4-(2-aminoethyl)-2-ethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

165.11537 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.12265 136.2
[M+Na]+ 188.10459 143.8
[M-H]- 164.10809 138.4
[M+NH4]+ 183.14919 156.2
[M+K]+ 204.07853 140.9
[M+H-H2O]+ 148.11263 130.8
[M+HCOO]- 210.11357 159.6
[M+CH3COO]- 224.12922 180.2
[M+Na-2H]- 186.09004 141.2
[M]+ 165.11482 135.1
[M]- 165.11592 135.1
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