CID 3046885

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

Structural Information

Molecular Formula
C14H17N
SMILES
C=CCNC1CCC2=CC=CC=C2C=C1
InChI
InChI=1S/C14H17N/c1-2-11-15-14-9-7-12-5-3-4-6-13(12)8-10-14/h2-7,9,14-15H,1,8,10-11H2
InChIKey
WIJNEKRBNKAJRR-UHFFFAOYSA-N
Compound name
N-prop-2-enyl-8,9-dihydro-7H-benzo[7]annulen-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

199.1361 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.14338 143.8
[M+Na]+ 222.12532 154.7
[M+NH4]+ 217.16992 152.7
[M+K]+ 238.09926 147.9
[M-H]- 198.12882 147.5
[M+Na-2H]- 220.11077 151.0
[M]+ 199.13555 146.4
[M]- 199.13665 146.4
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