CID 56614

Brn 2526471

Structural Information

Molecular Formula
C13H21NO2
SMILES
CC(COCC(C1=CC=CC=C1)O)N(C)C
InChI
InChI=1S/C13H21NO2/c1-11(14(2)3)9-16-10-13(15)12-7-5-4-6-8-12/h4-8,11,13,15H,9-10H2,1-3H3
InChIKey
RQURBWRGYZPYIW-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)propoxy]-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.15723 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.16451 154.4
[M+Na]+ 246.14645 158.3
[M-H]- 222.14995 157.3
[M+NH4]+ 241.19105 172.1
[M+K]+ 262.12039 157.9
[M+H-H2O]+ 206.15449 147.5
[M+HCOO]- 268.15543 176.1
[M+CH3COO]- 282.17108 194.9
[M+Na-2H]- 244.13190 156.9
[M]+ 223.15668 156.0
[M]- 223.15778 156.0
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.