CID 308222

Cc 9095

Structural Information

Molecular Formula
C17H28N2O3
SMILES
CCOC(=O)C(C)NC(=O)N(C)C12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C17H28N2O3/c1-4-22-15(20)11(2)18-16(21)19(3)17-8-12-5-13(9-17)7-14(6-12)10-17/h11-14H,4-10H2,1-3H3,(H,18,21)
InChIKey
BQMZASIEUOBBES-UHFFFAOYSA-N
Compound name
ethyl 2-[[1-adamantyl(methyl)carbamoyl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.21 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.21728 174.9
[M+Na]+ 331.19922 172.8
[M-H]- 307.20272 169.7
[M+NH4]+ 326.24382 195.9
[M+K]+ 347.17316 172.6
[M+H-H2O]+ 291.20726 168.6
[M+HCOO]- 353.20820 180.4
[M+CH3COO]- 367.22385 220.3
[M+Na-2H]- 329.18467 181.2
[M]+ 308.20945 176.3
[M]- 308.21055 176.3
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.