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

3
Patents

199.1361 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.143376 142.4
[M+Na]+ 222.125318 147.0
[M-H]- 198.128824 147.5
[M+NH4]+ 217.169923 161.2
[M+K]+ 238.099258 147.1
[M+H-H2O]+ 182.133360 137.5
[M+HCOO]- 244.134301 164.3
[M+CH3COO]- 258.149951 190.6
[M+Na-2H]- 220.110766 149.5
[M]+ 199.13555142 137.5
[M]- 199.13664858 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