CID 3077919

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

Structural Information

Molecular Formula
C13H19NO
SMILES
C1C2C3CC4C2C5C1C3C(C45)NCCO
InChI
InChI=1S/C13H19NO/c15-2-1-14-13-10-6-4-7-9-5(6)3-8(10)11(9)12(7)13/h5-15H,1-4H2
InChIKey
XGRCUNGIGDMBHF-UHFFFAOYSA-N
Compound name
2-(8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

205.14667 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.153946 150.1
[M+Na]+ 228.135888 154.4
[M-H]- 204.139394 152.7
[M+NH4]+ 223.180493 173.6
[M+K]+ 244.109828 153.6
[M+H-H2O]+ 188.143930 144.6
[M+HCOO]- 250.144871 165.6
[M+CH3COO]- 264.160521 161.3
[M+Na-2H]- 226.121336 150.3
[M]+ 205.14612142 160.9
[M]- 205.14721858 160.9
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