CID 120907

1763-03-7

Structural Information

Molecular Formula
C16H23NO
SMILES
CCCC12CCN(C(C1)CC3=C2C=C(C=C3)O)C
InChI
InChI=1S/C16H23NO/c1-3-6-16-7-8-17(2)13(11-16)9-12-4-5-14(18)10-15(12)16/h4-5,10,13,18H,3,6-9,11H2,1-2H3
InChIKey
DCCDZLIMIHPDIQ-UHFFFAOYSA-N
Compound name
10-methyl-1-propyl-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

10
Patents

245.17796 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.185236 159.4
[M+Na]+ 268.167178 166.1
[M-H]- 244.170684 159.8
[M+NH4]+ 263.211783 179.7
[M+K]+ 284.141118 161.3
[M+H-H2O]+ 228.175220 152.3
[M+HCOO]- 290.176161 172.4
[M+CH3COO]- 304.191811 169.7
[M+Na-2H]- 266.152626 165.3
[M]+ 245.17741142 156.8
[M]- 245.17850858 156.8
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

patents stripe