CID 3077917

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

Structural Information

Molecular Formula
C13H19N
SMILES
CCNC1C2C3CC4C1C5C2CC3C45
InChI
InChI=1S/C13H19N/c1-2-14-13-10-6-4-7-9-5(6)3-8(10)11(9)12(7)13/h5-14H,2-4H2,1H3
InChIKey
RCGQWVSKEWHCTN-UHFFFAOYSA-N
Compound name
N-ethylpentacyclo[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

189.15175 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.159026 147.4
[M+Na]+ 212.140968 152.4
[M-H]- 188.144474 151.3
[M+NH4]+ 207.185573 172.2
[M+K]+ 228.114908 151.7
[M+H-H2O]+ 172.149010 141.7
[M+HCOO]- 234.149951 164.2
[M+CH3COO]- 248.165601 159.4
[M+Na-2H]- 210.126416 147.6
[M]+ 189.15120142 158.4
[M]- 189.15229858 158.4
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