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]+ 284.222026 171.3
[M+Na]+ 306.203968 176.2
[M-H]- 282.207474 171.0
[M+NH4]+ 301.248573 194.8
[M+K]+ 322.177908 173.6
[M+H-H2O]+ 266.212010 169.7
[M+HCOO]- 328.212951 185.1
[M+CH3COO]- 342.228601 200.6
[M+Na-2H]- 304.189416 172.5
[M]+ 283.21420142 170.4
[M]- 283.21529858 170.4
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.