CID 3046863

62819-36-7

Structural Information

Molecular Formula
C13H19N
SMILES
CN(C)C1CCC2=CC=CC=C2CC1
InChI
InChI=1S/C13H19N/c1-14(2)13-9-7-11-5-3-4-6-12(11)8-10-13/h3-6,13H,7-10H2,1-2H3
InChIKey
KCNTVWUREVQILW-UHFFFAOYSA-N
Compound name
N,N-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

189.15175 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.159026 139.2
[M+Na]+ 212.140968 143.1
[M-H]- 188.144474 145.6
[M+NH4]+ 207.185573 159.1
[M+K]+ 228.114908 145.4
[M+H-H2O]+ 172.149010 134.3
[M+HCOO]- 234.149951 160.4
[M+CH3COO]- 248.165601 192.2
[M+Na-2H]- 210.126416 145.2
[M]+ 189.15120142 134.5
[M]- 189.15229858 134.5
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