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]+ 256.190716 158.3
[M+Na]+ 278.172658 164.1
[M-H]- 254.176164 161.7
[M+NH4]+ 273.217263 180.9
[M+K]+ 294.146598 163.8
[M+H-H2O]+ 238.180700 155.1
[M+HCOO]- 300.181641 178.0
[M+CH3COO]- 314.197291 200.0
[M+Na-2H]- 276.158106 158.3
[M]+ 255.18289142 159.6
[M]- 255.18398858 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.