CID 3047954

63869-45-4

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]+ 216.138286 148.2
[M+Na]+ 238.120228 156.5
[M-H]- 214.123734 150.5
[M+NH4]+ 233.164833 170.4
[M+K]+ 254.094168 152.4
[M+H-H2O]+ 198.128270 141.2
[M+HCOO]- 260.129211 163.7
[M+CH3COO]- 274.144861 160.2
[M+Na-2H]- 236.105676 155.7
[M]+ 215.13046142 146.1
[M]- 215.13155858 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.