CID 378642

81471-55-8

Structural Information

Molecular Formula
C14H19NO
SMILES
CN(C)CC1CCCC2=CC=CC=C2C1=O
InChI
InChI=1S/C14H19NO/c1-15(2)10-12-8-5-7-11-6-3-4-9-13(11)14(12)16/h3-4,6,9,12H,5,7-8,10H2,1-2H3
InChIKey
KXZUEKMRAUIUJL-UHFFFAOYSA-N
Compound name
6-[(dimethylamino)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

217.14667 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.15395 145.6
[M+Na]+ 240.13589 150.2
[M-H]- 216.13939 152.1
[M+NH4]+ 235.18049 164.5
[M+K]+ 256.10983 152.5
[M+H-H2O]+ 200.14393 140.5
[M+HCOO]- 262.14487 166.8
[M+CH3COO]- 276.16052 197.1
[M+Na-2H]- 238.12134 150.4
[M]+ 217.14612 142.2
[M]- 217.14722 142.2
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

patents stripe