CID 379928

Nsc665120

Structural Information

Molecular Formula
C15H25NO3
SMILES
CCOC(=O)CC(=O)NC1CC2CCC1(C2(C)C)C
InChI
InChI=1S/C15H25NO3/c1-5-19-13(18)9-12(17)16-11-8-10-6-7-15(11,4)14(10,2)3/h10-11H,5-9H2,1-4H3,(H,16,17)
InChIKey
DSJMNWFFCQVCOJ-UHFFFAOYSA-N
Compound name
ethyl 3-oxo-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.18344 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.19072 165.0
[M+Na]+ 290.17266 171.2
[M-H]- 266.17616 167.5
[M+NH4]+ 285.21726 190.4
[M+K]+ 306.14660 169.1
[M+H-H2O]+ 250.18070 162.0
[M+HCOO]- 312.18164 184.1
[M+CH3COO]- 326.19729 200.6
[M+Na-2H]- 288.15811 166.2
[M]+ 267.18289 167.0
[M]- 267.18399 167.0
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.