CID 39549

49832-47-5

Structural Information

Molecular Formula
C18H29NO
SMILES
CC1(C2CCC1(C(C2)(CC#CCN3CCCC3)O)C)C
InChI
InChI=1S/C18H29NO/c1-16(2)15-8-10-17(16,3)18(20,14-15)9-4-5-11-19-12-6-7-13-19/h15,20H,6-14H2,1-3H3
InChIKey
YOSLJXMDGDYEFB-UHFFFAOYSA-N
Compound name
1,7,7-trimethyl-2-(4-pyrrolidin-1-ylbut-2-ynyl)bicyclo[2.2.1]heptan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.2249 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.232176 169.8
[M+Na]+ 298.214118 180.7
[M-H]- 274.217624 171.8
[M+NH4]+ 293.258723 194.1
[M+K]+ 314.188058 169.5
[M+H-H2O]+ 258.222160 159.3
[M+HCOO]- 320.223101 180.6
[M+CH3COO]- 334.238751 179.3
[M+Na-2H]- 296.199566 168.7
[M]+ 275.22435142 162.9
[M]- 275.22544858 162.9
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

No patent data available for this compound.