CID 34373

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

Structural Information

Molecular Formula
C15H27NO
SMILES
CCCCNCC1C2CCC(C1=O)(C2(C)C)C
InChI
InChI=1S/C15H27NO/c1-5-6-9-16-10-11-12-7-8-15(4,13(11)17)14(12,2)3/h11-12,16H,5-10H2,1-4H3
InChIKey
XRGDYKSGWZLDFY-UHFFFAOYSA-N
Compound name
3-(butylaminomethyl)-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

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.21654 157.5
[M+Na]+ 260.19848 165.0
[M-H]- 236.20198 160.3
[M+NH4]+ 255.24308 184.7
[M+K]+ 276.17242 161.3
[M+H-H2O]+ 220.20652 154.3
[M+HCOO]- 282.20746 178.0
[M+CH3COO]- 296.22311 198.2
[M+Na-2H]- 258.18393 160.0
[M]+ 237.20871 159.1
[M]- 237.20981 159.1
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.