CID 215994

G 261

Structural Information

Molecular Formula
C11H16ClNO2
SMILES
CC(C(C1=CC=C(C=C1)Cl)O)NCCO
InChI
InChI=1S/C11H16ClNO2/c1-8(13-6-7-14)11(15)9-2-4-10(12)5-3-9/h2-5,8,11,13-15H,6-7H2,1H3
InChIKey
QKVQYISHBBCVLL-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-(2-hydroxyethylamino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.08696 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.09424 150.4
[M+Na]+ 252.07618 156.4
[M-H]- 228.07968 151.1
[M+NH4]+ 247.12078 167.7
[M+K]+ 268.05012 152.1
[M+H-H2O]+ 212.08422 145.6
[M+HCOO]- 274.08516 166.3
[M+CH3COO]- 288.10081 187.8
[M+Na-2H]- 250.06163 153.2
[M]+ 229.08641 150.6
[M]- 229.08751 150.6
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.