CID 34377

3-((diethylamino)methyl)-2-bornanone hydrochloride

Structural Information

Molecular Formula
C15H27NO
SMILES
CCN(CC)CC1C2CCC(C1=O)(C2(C)C)C
InChI
InChI=1S/C15H27NO/c1-6-16(7-2)10-11-12-8-9-15(5,13(11)17)14(12,3)4/h11-12H,6-10H2,1-5H3
InChIKey
PJDFPHPQOIPEKX-UHFFFAOYSA-N
Compound name
3-(diethylaminomethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.20926 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.21654 157.4
[M+Na]+ 260.19848 165.0
[M-H]- 236.20198 161.7
[M+NH4]+ 255.24308 185.2
[M+K]+ 276.17242 162.7
[M+H-H2O]+ 220.20652 154.2
[M+HCOO]- 282.20746 178.4
[M+CH3COO]- 296.22311 201.6
[M+Na-2H]- 258.18393 159.2
[M]+ 237.20871 160.2
[M]- 237.20981 160.2
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.