CID 3076626

Alpha-((2-(cyclopropylamino)ethoxy)methyl)benzenemethanol hydrochloride

Structural Information

Molecular Formula
C13H19NO2
SMILES
C1CC1NCCOCC(C2=CC=CC=C2)O
InChI
InChI=1S/C13H19NO2/c15-13(11-4-2-1-3-5-11)10-16-9-8-14-12-6-7-12/h1-5,12-15H,6-10H2
InChIKey
QEMQRDVZORYEBY-UHFFFAOYSA-N
Compound name
2-[2-(cyclopropylamino)ethoxy]-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.14159 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.148866 146.4
[M+Na]+ 244.130808 152.5
[M-H]- 220.134314 152.0
[M+NH4]+ 239.175413 158.8
[M+K]+ 260.104748 149.2
[M+H-H2O]+ 204.138850 139.3
[M+HCOO]- 266.139791 169.4
[M+CH3COO]- 280.155441 192.0
[M+Na-2H]- 242.116256 152.0
[M]+ 221.14104142 148.6
[M]- 221.14213858 148.6
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.