CID 215825

Brn 2856611

Structural Information

Molecular Formula
C16H29NO3
SMILES
CC1C2CCC(C2)C1CN(CCO)C(=O)CCC(C)O
InChI
InChI=1S/C16H29NO3/c1-11(19)3-6-16(20)17(7-8-18)10-15-12(2)13-4-5-14(15)9-13/h11-15,18-19H,3-10H2,1-2H3
InChIKey
QRUXLDFEOLBUQU-UHFFFAOYSA-N
Compound name
4-hydroxy-N-(2-hydroxyethyl)-N-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.21475 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.222026 175.0
[M+Na]+ 306.203968 177.4
[M-H]- 282.207474 175.3
[M+NH4]+ 301.248573 194.8
[M+K]+ 322.177908 175.6
[M+H-H2O]+ 266.212010 170.1
[M+HCOO]- 328.212951 190.9
[M+CH3COO]- 342.228601 204.2
[M+Na-2H]- 304.189416 171.0
[M]+ 283.21420142 174.8
[M]- 283.21529858 174.8
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.