CID 205908

Brn 2742037

Structural Information

Molecular Formula
C16H27NO3
SMILES
CC1C2CCC(C2)C1CN(CCO)C(=O)CCC(=O)C
InChI
InChI=1S/C16H27NO3/c1-11(19)3-6-16(20)17(7-8-18)10-15-12(2)13-4-5-14(15)9-13/h12-15,18H,3-10H2,1-2H3
InChIKey
GQNWRHOYVLTGFV-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-N-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]-4-oxopentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1991 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.206376 173.6
[M+Na]+ 304.188318 176.8
[M-H]- 280.191824 175.3
[M+NH4]+ 299.232923 194.1
[M+K]+ 320.162258 175.1
[M+H-H2O]+ 264.196360 168.5
[M+HCOO]- 326.197301 191.2
[M+CH3COO]- 340.212951 205.9
[M+Na-2H]- 302.173766 170.1
[M]+ 281.19855142 174.6
[M]- 281.19964858 174.6
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.