CID 28343835

1215213-92-5

Structural Information

Molecular Formula
C10H13NO
SMILES
C[C@@H](C1=CC=C(C=C1)C(=O)C)N
InChI
InChI=1S/C10H13NO/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-7H,11H2,1-2H3/t7-/m0/s1
InChIKey
KOMCDPPOHOQBSF-ZETCQYMHSA-N
Compound name
1-[4-[(1S)-1-aminoethyl]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

163.09972 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.106996 135.5
[M+Na]+ 186.088938 142.3
[M-H]- 162.092444 138.9
[M+NH4]+ 181.133543 155.7
[M+K]+ 202.062878 140.7
[M+H-H2O]+ 146.096980 129.8
[M+HCOO]- 208.097921 158.6
[M+CH3COO]- 222.113571 182.5
[M+Na-2H]- 184.074386 139.2
[M]+ 163.09917142 133.8
[M]- 163.10026858 133.8
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

No patent data available for this compound.