CID 206950

Brn 2857083

Structural Information

Molecular Formula
C19H35NO2
SMILES
CC1C2CCC(C2)C1CN(CCC(C)C)C(=O)CCC(C)O
InChI
InChI=1S/C19H35NO2/c1-13(2)9-10-20(19(22)8-5-14(3)21)12-18-15(4)16-6-7-17(18)11-16/h13-18,21H,5-12H2,1-4H3
InChIKey
BHNYQSMXIBPHGE-UHFFFAOYSA-N
Compound name
4-hydroxy-N-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]-N-(3-methylbutyl)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.26678 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.27406 186.9
[M+Na]+ 332.25600 188.3
[M-H]- 308.25950 188.2
[M+NH4]+ 327.30060 206.4
[M+K]+ 348.22994 186.5
[M+H-H2O]+ 292.26404 181.6
[M+HCOO]- 354.26498 202.1
[M+CH3COO]- 368.28063 214.4
[M+Na-2H]- 330.24145 180.3
[M]+ 309.26623 187.6
[M]- 309.26733 187.6
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.