CID 3077928

Brn 4748737

Structural Information

Molecular Formula
C18H21N
SMILES
C1C2C3CC4C2C5C1C3C(C45)NCC6=CC=CC=C6
InChI
InChI=1S/C18H21N/c1-2-4-9(5-3-1)8-19-18-15-11-7-12-14-10(11)6-13(15)16(14)17(12)18/h1-5,10-19H,6-8H2
InChIKey
ZWCQZHOWEDKJBN-UHFFFAOYSA-N
Compound name
N-benzylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

251.1674 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.17468 157.0
[M+Na]+ 274.15662 161.5
[M-H]- 250.16012 164.0
[M+NH4]+ 269.20122 179.4
[M+K]+ 290.13056 159.4
[M+H-H2O]+ 234.16466 150.0
[M+HCOO]- 296.16560 174.1
[M+CH3COO]- 310.18125 168.4
[M+Na-2H]- 272.14207 156.4
[M]+ 251.16685 167.8
[M]- 251.16795 167.8
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