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]+ 224.200896 153.0
[M+Na]+ 246.182838 160.9
[M-H]- 222.186344 155.9
[M+NH4]+ 241.227443 180.7
[M+K]+ 262.156778 157.5
[M+H-H2O]+ 206.190880 150.0
[M+HCOO]- 268.191821 173.9
[M+CH3COO]- 282.207471 195.2
[M+Na-2H]- 244.168286 156.0
[M]+ 223.19307142 154.2
[M]- 223.19416858 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.