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]+ 252.174676 158.4
[M+Na]+ 274.156618 161.4
[M-H]- 250.160124 165.4
[M+NH4]+ 269.201223 174.4
[M+K]+ 290.130558 160.8
[M+H-H2O]+ 234.164660 152.4
[M+HCOO]- 296.165601 177.3
[M+CH3COO]- 310.181251 168.6
[M+Na-2H]- 272.142066 162.5
[M]+ 251.16685142 150.2
[M]- 251.16794858 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.