CID 2769826

2007-72-9

Structural Information

Molecular Formula
C16H21NO2
SMILES
CC(C)NCC(COC1=CC2=CC=CC=C2C=C1)O
InChI
InChI=1S/C16H21NO2/c1-12(2)17-10-15(18)11-19-16-8-7-13-5-3-4-6-14(13)9-16/h3-9,12,15,17-18H,10-11H2,1-2H3
InChIKey
PIANUSMCKHEMFQ-UHFFFAOYSA-N
Compound name
1-naphthalen-2-yloxy-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

259.15723 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.16451 161.4
[M+Na]+ 282.14645 166.0
[M-H]- 258.14995 163.8
[M+NH4]+ 277.19105 178.0
[M+K]+ 298.12039 162.9
[M+H-H2O]+ 242.15449 154.3
[M+HCOO]- 304.15543 181.4
[M+CH3COO]- 318.17108 199.1
[M+Na-2H]- 280.13190 165.8
[M]+ 259.15668 161.9
[M]- 259.15778 161.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe