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]+ 222.14887 146.4
[M+Na]+ 244.13081 152.5
[M-H]- 220.13431 152.0
[M+NH4]+ 239.17541 158.8
[M+K]+ 260.10475 149.2
[M+H-H2O]+ 204.13885 139.3
[M+HCOO]- 266.13979 169.4
[M+CH3COO]- 280.15544 192.0
[M+Na-2H]- 242.11626 152.0
[M]+ 221.14104 148.6
[M]- 221.14214 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.