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]+ 206.15395 150.1
[M+Na]+ 228.13589 154.4
[M-H]- 204.13939 152.7
[M+NH4]+ 223.18049 173.6
[M+K]+ 244.10983 153.6
[M+H-H2O]+ 188.14393 144.6
[M+HCOO]- 250.14487 165.6
[M+CH3COO]- 264.16052 161.3
[M+Na-2H]- 226.12134 150.3
[M]+ 205.14612 160.9
[M]- 205.14722 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