CID 17665

Brn 2721715

Structural Information

Molecular Formula
C11H16N2O
SMILES
CN(C)CCNC1=CC=CC=CC1=O
InChI
InChI=1S/C11H16N2O/c1-13(2)9-8-12-10-6-4-3-5-7-11(10)14/h3-7H,8-9H2,1-2H3,(H,12,14)
InChIKey
RZPLODMPJDDPCO-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethylamino]cyclohepta-2,4,6-trien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.12627 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.13355 139.5
[M+Na]+ 215.11549 143.8
[M-H]- 191.11899 145.6
[M+NH4]+ 210.16009 157.9
[M+K]+ 231.08943 147.9
[M+H-H2O]+ 175.12353 133.4
[M+HCOO]- 237.12447 165.3
[M+CH3COO]- 251.14012 194.0
[M+Na-2H]- 213.10094 145.4
[M]+ 192.12572 137.8
[M]- 192.12682 137.8
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

No patent data available for this compound.