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]+ 190.15903 147.4
[M+Na]+ 212.14097 152.4
[M-H]- 188.14447 151.3
[M+NH4]+ 207.18557 172.2
[M+K]+ 228.11491 151.7
[M+H-H2O]+ 172.14901 141.7
[M+HCOO]- 234.14995 164.2
[M+CH3COO]- 248.16560 159.4
[M+Na-2H]- 210.12642 147.6
[M]+ 189.15120 158.4
[M]- 189.15230 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