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]+ 248.200896 156.6
[M+Na]+ 270.182838 158.1
[M-H]- 246.186344 159.8
[M+NH4]+ 265.227443 172.7
[M+K]+ 286.156778 159.5
[M+H-H2O]+ 230.190880 151.4
[M+HCOO]- 292.191821 173.2
[M+CH3COO]- 306.207471 198.5
[M+Na-2H]- 268.168286 159.0
[M]+ 247.19307142 150.1
[M]- 247.19416858 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.