CID 24265034

3-amino-2-[(4-chlorophenyl)methyl]propan-1-ol hydrochloride

Structural Information

Molecular Formula
C10H14ClNO
SMILES
C1=CC(=CC=C1CC(CN)CO)Cl
InChI
InChI=1S/C10H14ClNO/c11-10-3-1-8(2-4-10)5-9(6-12)7-13/h1-4,9,13H,5-7,12H2
InChIKey
VADAEETYCLIBDE-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-3-(4-chlorophenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.07639 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.08367 143.1
[M+Na]+ 222.06561 150.3
[M-H]- 198.06911 144.7
[M+NH4]+ 217.11021 162.2
[M+K]+ 238.03955 145.7
[M+H-H2O]+ 182.07365 138.3
[M+HCOO]- 244.07459 161.0
[M+CH3COO]- 258.09024 183.7
[M+Na-2H]- 220.05106 147.1
[M]+ 199.07584 143.0
[M]- 199.07694 143.0
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.