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 156.6
[M+Na]+ 270.18284 158.1
[M-H]- 246.18634 159.8
[M+NH4]+ 265.22744 172.7
[M+K]+ 286.15678 159.5
[M+H-H2O]+ 230.19088 151.4
[M+HCOO]- 292.19182 173.2
[M+CH3COO]- 306.20747 198.5
[M+Na-2H]- 268.16829 159.0
[M]+ 247.19307 150.1
[M]- 247.19417 150.1
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.