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]+ 310.274056 186.9
[M+Na]+ 332.255998 188.3
[M-H]- 308.259504 188.2
[M+NH4]+ 327.300603 206.4
[M+K]+ 348.229938 186.5
[M+H-H2O]+ 292.264040 181.6
[M+HCOO]- 354.264981 202.1
[M+CH3COO]- 368.280631 214.4
[M+Na-2H]- 330.241446 180.3
[M]+ 309.26623142 187.6
[M]- 309.26732858 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.