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

2
Patents

163.09972 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 135.5
[M+Na]+ 186.08894 142.3
[M-H]- 162.09244 138.9
[M+NH4]+ 181.13354 155.7
[M+K]+ 202.06288 140.7
[M+H-H2O]+ 146.09698 129.8
[M+HCOO]- 208.09792 158.6
[M+CH3COO]- 222.11357 182.5
[M+Na-2H]- 184.07439 139.2
[M]+ 163.09917 133.8
[M]- 163.10027 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.