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]+ 218.19032 148.4
[M+Na]+ 240.17226 149.8
[M+NH4]+ 235.21686 155.8
[M+K]+ 256.14620 152.8
[M-H]- 216.17576 145.5
[M+Na-2H]- 238.15771 141.1
[M]+ 217.18249 146.4
[M]- 217.18359 146.4
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