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]+ 193.133546 139.5
[M+Na]+ 215.115488 143.8
[M-H]- 191.118994 145.6
[M+NH4]+ 210.160093 157.9
[M+K]+ 231.089428 147.9
[M+H-H2O]+ 175.123530 133.4
[M+HCOO]- 237.124471 165.3
[M+CH3COO]- 251.140121 194.0
[M+Na-2H]- 213.100936 145.4
[M]+ 192.12572142 137.8
[M]- 192.12681858 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.