CID 32556

(+-)-endo-n-(2-bornyl)-2,4-dihydroxy-3,3-dimethylbutyramide

Structural Information

Molecular Formula
C16H29NO3
SMILES
CC1(C2CCC1(C(C2)NC(=O)C(C(C)(C)CO)O)C)C
InChI
InChI=1S/C16H29NO3/c1-14(2,9-18)12(19)13(20)17-11-8-10-6-7-16(11,5)15(10,3)4/h10-12,18-19H,6-9H2,1-5H3,(H,17,20)
InChIKey
RPDXREWDCAFJJN-UHFFFAOYSA-N
Compound name
2,4-dihydroxy-3,3-dimethyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.21475 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.22203 166.7
[M+Na]+ 306.20397 170.3
[M+NH4]+ 301.24857 175.4
[M+K]+ 322.17791 167.8
[M-H]- 282.20747 163.9
[M+Na-2H]- 304.18942 167.2
[M]+ 283.21420 166.2
[M]- 283.21530 166.2
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.