CID 3077929

Brn 4743888

Structural Information

Molecular Formula
C19H31N
SMILES
CCCCCCCCNC1C2C3CC4C1C5C2CC3C45
InChI
InChI=1S/C19H31N/c1-2-3-4-5-6-7-8-20-19-16-12-10-13-15-11(12)9-14(16)17(15)18(13)19/h11-20H,2-10H2,1H3
InChIKey
YJCSNXASFMCCDI-UHFFFAOYSA-N
Compound name
N-octylpentacyclo[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

273.24564 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.25292 175.5
[M+Na]+ 296.23486 177.9
[M-H]- 272.23836 178.2
[M+NH4]+ 291.27946 197.0
[M+K]+ 312.20880 175.8
[M+H-H2O]+ 256.24290 168.7
[M+HCOO]- 318.24384 190.2
[M+CH3COO]- 332.25949 184.8
[M+Na-2H]- 294.22031 172.4
[M]+ 273.24509 188.1
[M]- 273.24619 188.1
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