CID 3048830

64023-89-8

Structural Information

Molecular Formula
C17H25NO
SMILES
CCCCC12CCN(C(C1)CC3=C2C=C(C=C3)O)C
InChI
InChI=1S/C17H25NO/c1-3-4-7-17-8-9-18(2)14(12-17)10-13-5-6-15(19)11-16(13)17/h5-6,11,14,19H,3-4,7-10,12H2,1-2H3
InChIKey
KXCYXGBCJNMDHW-UHFFFAOYSA-N
Compound name
1-butyl-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.1936 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.20088 164.0
[M+Na]+ 282.18282 170.2
[M-H]- 258.18632 164.1
[M+NH4]+ 277.22742 183.7
[M+K]+ 298.15676 165.2
[M+H-H2O]+ 242.19086 156.7
[M+HCOO]- 304.19180 176.6
[M+CH3COO]- 318.20745 173.8
[M+Na-2H]- 280.16827 169.3
[M]+ 259.19305 161.7
[M]- 259.19415 161.7
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.