CID 34375

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

Structural Information

Molecular Formula
C14H25NO
SMILES
CCCNCC1C2CCC(C1=O)(C2(C)C)C
InChI
InChI=1S/C14H25NO/c1-5-8-15-9-10-11-6-7-14(4,12(10)16)13(11,2)3/h10-11,15H,5-9H2,1-4H3
InChIKey
FBOAZBOCCPLRSD-UHFFFAOYSA-N
Compound name
1,7,7-trimethyl-3-(propylaminomethyl)bicyclo[2.2.1]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.19362 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.20090 153.0
[M+Na]+ 246.18284 160.9
[M-H]- 222.18634 155.9
[M+NH4]+ 241.22744 180.7
[M+K]+ 262.15678 157.5
[M+H-H2O]+ 206.19088 150.0
[M+HCOO]- 268.19182 173.9
[M+CH3COO]- 282.20747 195.2
[M+Na-2H]- 244.16829 156.0
[M]+ 223.19307 154.2
[M]- 223.19417 154.2
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.