CID 40036

51490-43-8

Structural Information

Molecular Formula
C18H21N
SMILES
C1CCC2=C(CC1)C=C(C=C2)C(C3=CC=CC=C3)N
InChI
InChI=1S/C18H21N/c19-18(15-8-4-2-5-9-15)17-12-11-14-7-3-1-6-10-16(14)13-17/h2,4-5,8-9,11-13,18H,1,3,6-7,10,19H2
InChIKey
HPLKKRUCHLTPJO-UHFFFAOYSA-N
Compound name
phenyl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.1674 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.17468 158.4
[M+Na]+ 274.15662 161.4
[M-H]- 250.16012 165.4
[M+NH4]+ 269.20122 174.4
[M+K]+ 290.13056 160.8
[M+H-H2O]+ 234.16466 152.4
[M+HCOO]- 296.16560 177.3
[M+CH3COO]- 310.18125 168.6
[M+Na-2H]- 272.14207 162.5
[M]+ 251.16685 150.2
[M]- 251.16795 150.2
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.