CID 3047954

2,6-methano-3-benzazocin-1-one, 1,2,3,4,5,6-hexahydro-3,6-dimethyl-, hydrochloride

Structural Information

Molecular Formula
C14H17NO
SMILES
CC12CCN(C(C1)C(=O)C3=CC=CC=C23)C
InChI
InChI=1S/C14H17NO/c1-14-7-8-15(2)12(9-14)13(16)10-5-3-4-6-11(10)14/h3-6,12H,7-9H2,1-2H3
InChIKey
KMKNXKSVGHLODN-UHFFFAOYSA-N
Compound name
1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.13101 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.13829 148.2
[M+Na]+ 238.12023 156.5
[M-H]- 214.12373 150.5
[M+NH4]+ 233.16483 170.4
[M+K]+ 254.09417 152.4
[M+H-H2O]+ 198.12827 141.2
[M+HCOO]- 260.12921 163.7
[M+CH3COO]- 274.14486 160.2
[M+Na-2H]- 236.10568 155.7
[M]+ 215.13046 146.1
[M]- 215.13156 146.1
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.