CID 60564

1-butanol, 2-(((2-chlorophenyl)methyl)amino)-, hydrochloride, (r)-

Structural Information

Molecular Formula
C11H16ClNO
SMILES
CCC(CO)NCC1=CC=CC=C1Cl
InChI
InChI=1S/C11H16ClNO/c1-2-10(8-14)13-7-9-5-3-4-6-11(9)12/h3-6,10,13-14H,2,7-8H2,1H3
InChIKey
OGFBATFFPAVFKT-UHFFFAOYSA-N
Compound name
2-[(2-chlorophenyl)methylamino]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

213.09204 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.09932 147.3
[M+Na]+ 236.08126 154.0
[M-H]- 212.08476 149.2
[M+NH4]+ 231.12586 166.0
[M+K]+ 252.05520 149.5
[M+H-H2O]+ 196.08930 142.2
[M+HCOO]- 258.09024 165.4
[M+CH3COO]- 272.10589 187.4
[M+Na-2H]- 234.06671 151.7
[M]+ 213.09149 148.5
[M]- 213.09259 148.5
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

patents stripe