CID 14383527

51490-17-6

Structural Information

Molecular Formula
C11H15N
SMILES
C1CCC2=C(CC1)C=C(C=C2)N
InChI
InChI=1S/C11H15N/c12-11-7-6-9-4-2-1-3-5-10(9)8-11/h6-8H,1-5,12H2
InChIKey
ZIQAFVONTMJKGG-UHFFFAOYSA-N
Compound name
6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

161.12045 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.12773 131.2
[M+Na]+ 184.10967 135.8
[M-H]- 160.11317 136.0
[M+NH4]+ 179.15427 151.3
[M+K]+ 200.08361 137.0
[M+H-H2O]+ 144.11771 126.8
[M+HCOO]- 206.11865 152.0
[M+CH3COO]- 220.13430 143.7
[M+Na-2H]- 182.09512 138.0
[M]+ 161.11990 123.7
[M]- 161.12100 123.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe