CID 27714

2-(cyclopentylamino)-3',4'-dihydroxy-acetophenone hydrochloride

Structural Information

Molecular Formula
C13H17NO3
SMILES
C1CCC(C1)NCC(=O)C2=CC(=C(C=C2)O)O
InChI
InChI=1S/C13H17NO3/c15-11-6-5-9(7-12(11)16)13(17)8-14-10-3-1-2-4-10/h5-7,10,14-16H,1-4,8H2
InChIKey
KILCALPYQFDISI-UHFFFAOYSA-N
Compound name
2-(cyclopentylamino)-1-(3,4-dihydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

235.12085 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.12813 154.3
[M+Na]+ 258.11007 163.1
[M+NH4]+ 253.15467 161.3
[M+K]+ 274.08401 160.0
[M-H]- 234.11357 156.4
[M+Na-2H]- 256.09552 158.7
[M]+ 235.12030 155.7
[M]- 235.12140 155.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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