CID 3077913

136375-78-5

Structural Information

Molecular Formula
C11H15N
SMILES
C1C2C3CC4C2C5C1C3C(C45)N
InChI
InChI=1S/C11H15N/c12-11-8-4-2-5-7-3(4)1-6(8)9(7)10(5)11/h3-11H,1-2,12H2
InChIKey
QJVKRKOJYPDHKU-UHFFFAOYSA-N
Compound name
pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

3
Patents

161.12045 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.12773 138.9
[M+Na]+ 184.10967 144.9
[M-H]- 160.11317 142.8
[M+NH4]+ 179.15427 164.6
[M+K]+ 200.08361 144.3
[M+H-H2O]+ 144.11771 133.6
[M+HCOO]- 206.11865 155.9
[M+CH3COO]- 220.13430 151.6
[M+Na-2H]- 182.09512 139.4
[M]+ 161.11990 148.6
[M]- 161.12100 148.6
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