CID 15177

Butidrine

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
3
Annotation Hits

0
References

1407
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 163.6
[M-H]- 246.18634 162.5
[M+NH4]+ 265.22744 177.9
[M+K]+ 286.15678 160.2
[M+H-H2O]+ 230.19088 154.1
[M+HCOO]- 292.19182 177.7
[M+CH3COO]- 306.20747 197.7
[M+Na-2H]- 268.16829 163.2
[M]+ 247.19307 157.0
[M]- 247.19417 157.0
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.