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 142.4
[M+Na]+ 222.12532 147.0
[M-H]- 198.12882 147.5
[M+NH4]+ 217.16992 161.2
[M+K]+ 238.09926 147.1
[M+H-H2O]+ 182.13336 137.5
[M+HCOO]- 244.13430 164.3
[M+CH3COO]- 258.14995 190.6
[M+Na-2H]- 220.11077 149.5
[M]+ 199.13555 137.5
[M]- 199.13665 137.5
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