CID 652114

73889-60-8

Structural Information

Molecular Formula
C14H25NO3
SMILES
CCN(CC)C(=O)C1CCC(C1(C)C)(C)C(=O)O
InChI
InChI=1S/C14H25NO3/c1-6-15(7-2)11(16)10-8-9-14(5,12(17)18)13(10,3)4/h10H,6-9H2,1-5H3,(H,17,18)
InChIKey
FRNYPAJLMPCHQD-UHFFFAOYSA-N
Compound name
3-(diethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

255.18344 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.19072 158.3
[M+Na]+ 278.17266 164.1
[M-H]- 254.17616 161.7
[M+NH4]+ 273.21726 180.9
[M+K]+ 294.14660 163.8
[M+H-H2O]+ 238.18070 155.1
[M+HCOO]- 300.18164 178.0
[M+CH3COO]- 314.19729 200.0
[M+Na-2H]- 276.15811 158.3
[M]+ 255.18289 159.6
[M]- 255.18399 159.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.