CID 16790939

1-[(ethylcarbamoyl)amino]cyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C9H16N2O3
SMILES
CCNC(=O)NC1(CCCC1)C(=O)O
InChI
InChI=1S/C9H16N2O3/c1-2-10-8(14)11-9(7(12)13)5-3-4-6-9/h2-6H2,1H3,(H,12,13)(H2,10,11,14)
InChIKey
IJWRVJJORVPHCO-UHFFFAOYSA-N
Compound name
1-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

200.11609 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.123366 144.9
[M+Na]+ 223.105308 148.8
[M-H]- 199.108814 146.5
[M+NH4]+ 218.149913 166.0
[M+K]+ 239.079248 148.1
[M+H-H2O]+ 183.113350 139.8
[M+HCOO]- 245.114291 166.7
[M+CH3COO]- 259.129941 183.8
[M+Na-2H]- 221.090756 148.0
[M]+ 200.11554142 140.9
[M]- 200.11663858 140.9
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

patents stripe