CID 207530

Unii-brv874rc9s

Structural Information

Molecular Formula
C15H21NO2
SMILES
CC(C)NCC(COC1=CC=CC2=C1CC=C2)O
InChI
InChI=1S/C15H21NO2/c1-11(2)16-9-13(17)10-18-15-8-4-6-12-5-3-7-14(12)15/h3-6,8,11,13,16-17H,7,9-10H2,1-2H3
InChIKey
SAWHVYHGMYAXLH-UHFFFAOYSA-N
Compound name
1-(3H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

247.15723 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.16451 159.5
[M+Na]+ 270.14645 164.5
[M-H]- 246.14995 162.2
[M+NH4]+ 265.19105 178.6
[M+K]+ 286.12039 161.7
[M+H-H2O]+ 230.15449 153.2
[M+HCOO]- 292.15543 180.6
[M+CH3COO]- 306.17108 195.9
[M+Na-2H]- 268.13190 162.0
[M]+ 247.15668 160.4
[M]- 247.15778 160.4
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