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

7
Patents

245.17796 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.18524 159.4
[M+Na]+ 268.16718 166.1
[M-H]- 244.17068 159.8
[M+NH4]+ 263.21178 179.7
[M+K]+ 284.14112 161.3
[M+H-H2O]+ 228.17522 152.3
[M+HCOO]- 290.17616 172.4
[M+CH3COO]- 304.19181 169.7
[M+Na-2H]- 266.15263 165.3
[M]+ 245.17741 156.8
[M]- 245.17851 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