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]+ 276.23218 169.8
[M+Na]+ 298.21412 180.7
[M-H]- 274.21762 171.8
[M+NH4]+ 293.25872 194.1
[M+K]+ 314.18806 169.5
[M+H-H2O]+ 258.22216 159.3
[M+HCOO]- 320.22310 180.6
[M+CH3COO]- 334.23875 179.3
[M+Na-2H]- 296.19957 168.7
[M]+ 275.22435 162.9
[M]- 275.22545 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.