CID 3077925

8-(isobutylamino)pentacyclo(5.4.0.0(sup 2,6).0(sup 3,10).0(sup 5,9))undecane hydrochloride

Structural Information

Molecular Formula
C15H23N
SMILES
CC(C)CNC1C2C3CC4C1C5C2CC3C45
InChI
InChI=1S/C15H23N/c1-6(2)5-16-15-12-8-4-9-11-7(8)3-10(12)13(11)14(9)15/h6-16H,3-5H2,1-2H3
InChIKey
CUTCTCRNRGJWAH-UHFFFAOYSA-N
Compound name
N-(2-methylpropyl)pentacyclo[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

217.18304 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.190316 160.3
[M+Na]+ 240.172258 164.0
[M-H]- 216.175764 163.8
[M+NH4]+ 235.216863 183.9
[M+K]+ 256.146198 163.2
[M+H-H2O]+ 200.180300 154.3
[M+HCOO]- 262.181241 175.3
[M+CH3COO]- 276.196891 171.1
[M+Na-2H]- 238.157706 158.1
[M]+ 217.18249142 171.2
[M]- 217.18358858 171.2
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