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 171.3
[M+Na]+ 306.20397 176.2
[M-H]- 282.20747 171.0
[M+NH4]+ 301.24857 194.8
[M+K]+ 322.17791 173.6
[M+H-H2O]+ 266.21201 169.7
[M+HCOO]- 328.21295 185.1
[M+CH3COO]- 342.22860 200.6
[M+Na-2H]- 304.18942 172.5
[M]+ 283.21420 170.4
[M]- 283.21530 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.