CID 15177

Butidrine hydrochloride

Structural Information

Molecular Formula
C16H25NO
SMILES
CCC(C)NCC(C1=CC2=C(CCCC2)C=C1)O
InChI
InChI=1S/C16H25NO/c1-3-12(2)17-11-16(18)15-9-8-13-6-4-5-7-14(13)10-15/h8-10,12,16-18H,3-7,11H2,1-2H3
InChIKey
GVNYSERWAKVROD-UHFFFAOYSA-N
Compound name
2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1088
Patents

247.19362 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.20090 160.8
[M+Na]+ 270.18284 170.9
[M+NH4]+ 265.22744 169.5
[M+K]+ 286.15678 164.0
[M-H]- 246.18634 163.7
[M+Na-2H]- 268.16829 165.2
[M]+ 247.19307 162.9
[M]- 247.19417 162.9
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