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]+ 260.200876 164.0
[M+Na]+ 282.182818 170.2
[M-H]- 258.186324 164.1
[M+NH4]+ 277.227423 183.7
[M+K]+ 298.156758 165.2
[M+H-H2O]+ 242.190860 156.7
[M+HCOO]- 304.191801 176.6
[M+CH3COO]- 318.207451 173.8
[M+Na-2H]- 280.168266 169.3
[M]+ 259.19305142 161.7
[M]- 259.19414858 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.