CID 28870

5-dimethylamino-6,7,8,9-tetrahydro-5h-benzocycloheptene hydrochloride

Structural Information

Molecular Formula
C13H21N
SMILES
CN(C)C1CCC=CC2=C1CCCC2
InChI
InChI=1S/C13H21N/c1-14(2)13-10-6-4-8-11-7-3-5-9-12(11)13/h4,8,13H,3,5-7,9-10H2,1-2H3
InChIKey
VBBFXSCMLQAQEY-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2,3,4,7,8,9-hexahydro-1H-benzo[7]annulen-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.1674 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.17468 142.6
[M+Na]+ 214.15662 152.1
[M+NH4]+ 209.20122 152.0
[M+K]+ 230.13056 146.5
[M-H]- 190.16012 146.5
[M+Na-2H]- 212.14207 148.7
[M]+ 191.16685 145.1
[M]- 191.16795 145.1
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.