CID 3046861

7-dimethylamino-6,7-dihydro(5h)benzocycloheptene hydrochloride

Structural Information

Molecular Formula
C13H17N
SMILES
CN(C)C1CCC2=CC=CC=C2C=C1
InChI
InChI=1S/C13H17N/c1-14(2)13-9-7-11-5-3-4-6-12(11)8-10-13/h3-7,9,13H,8,10H2,1-2H3
InChIKey
RTPRCMIRDVQVSX-UHFFFAOYSA-N
Compound name
N,N-dimethyl-8,9-dihydro-7H-benzo[7]annulen-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

187.1361 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.14338 138.0
[M+Na]+ 210.12532 143.0
[M-H]- 186.12882 144.8
[M+NH4]+ 205.16992 158.1
[M+K]+ 226.09926 145.2
[M+H-H2O]+ 170.13336 133.2
[M+HCOO]- 232.13430 160.6
[M+CH3COO]- 246.14995 191.9
[M+Na-2H]- 208.11077 145.0
[M]+ 187.13555 134.7
[M]- 187.13665 134.7
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