CID 39344

42882-69-9

Structural Information

Molecular Formula
C16H25NO
SMILES
CC(C)NCC(C1=CC2=C(CCCCC2)C=C1)O
InChI
InChI=1S/C16H25NO/c1-12(2)17-11-16(18)15-9-8-13-6-4-3-5-7-14(13)10-15/h8-10,12,16-18H,3-7,11H2,1-2H3
InChIKey
UZTNMUMPKYDIEK-UHFFFAOYSA-N
Compound name
2-(propan-2-ylamino)-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.19362 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.20090 156.9
[M+Na]+ 270.18284 164.9
[M+NH4]+ 265.22744 164.6
[M+K]+ 286.15678 160.3
[M-H]- 246.18634 159.3
[M+Na-2H]- 268.16829 161.2
[M]+ 247.19307 158.6
[M]- 247.19417 158.6
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.