CID 55931

6,7,8,9-tetrahydro-4-(1-iminoethyl)-1-isopropoxy-5h-cyclohepta(c)pyridin-3-ol

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CC(C)OC1=C2CCCCCC2=C(C(=O)N1)C(=N)C
InChI
InChI=1S/C15H22N2O2/c1-9(2)19-15-12-8-6-4-5-7-11(12)13(10(3)16)14(18)17-15/h9,16H,4-8H2,1-3H3,(H,17,18)
InChIKey
RHWUYHOUDHNSSJ-UHFFFAOYSA-N
Compound name
4-ethanimidoyl-1-propan-2-yloxy-2,5,6,7,8,9-hexahydrocyclohepta[c]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.16812 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 157.7
[M+Na]+ 285.15734 162.0
[M-H]- 261.16084 160.5
[M+NH4]+ 280.20194 172.4
[M+K]+ 301.13128 163.4
[M+H-H2O]+ 245.16538 151.4
[M+HCOO]- 307.16632 173.9
[M+CH3COO]- 321.18197 201.0
[M+Na-2H]- 283.14279 159.4
[M]+ 262.16757 152.2
[M]- 262.16867 152.2
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.