CID 3077927

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

Structural Information

Molecular Formula
C16H25N
SMILES
CCCCCNC1C2C3CC4C1C5C2CC3C45
InChI
InChI=1S/C16H25N/c1-2-3-4-5-17-16-13-9-7-10-12-8(9)6-11(13)14(12)15(10)16/h8-17H,2-7H2,1H3
InChIKey
INZXIJHWOVFNER-UHFFFAOYSA-N
Compound name
N-pentylpentacyclo[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

231.1987 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.20598 161.5
[M+Na]+ 254.18792 165.2
[M-H]- 230.19142 164.8
[M+NH4]+ 249.23252 184.7
[M+K]+ 270.16186 163.8
[M+H-H2O]+ 214.19596 155.3
[M+HCOO]- 276.19690 177.3
[M+CH3COO]- 290.21255 172.2
[M+Na-2H]- 252.17337 160.1
[M]+ 231.19815 173.4
[M]- 231.19925 173.4
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