CID 3051307

67367-96-8

Structural Information

Molecular Formula
C17H25NO
SMILES
CC(C)NCC(C1=C2CCCC2=CC3=C1CCC3)O
InChI
InChI=1S/C17H25NO/c1-11(2)18-10-16(19)17-14-7-3-5-12(14)9-13-6-4-8-15(13)17/h9,11,16,18-19H,3-8,10H2,1-2H3
InChIKey
MEISUXHQTBUTDF-UHFFFAOYSA-N
Compound name
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(propan-2-ylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.1936 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.20088 165.5
[M+Na]+ 282.18282 169.8
[M-H]- 258.18632 168.8
[M+NH4]+ 277.22742 186.9
[M+K]+ 298.15676 165.7
[M+H-H2O]+ 242.19086 160.1
[M+HCOO]- 304.19180 183.3
[M+CH3COO]- 318.20745 199.6
[M+Na-2H]- 280.16827 164.6
[M]+ 259.19305 162.7
[M]- 259.19415 162.7
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.