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]+ 201.12337 144.9
[M+Na]+ 223.10531 148.8
[M-H]- 199.10881 146.5
[M+NH4]+ 218.14991 166.0
[M+K]+ 239.07925 148.1
[M+H-H2O]+ 183.11335 139.8
[M+HCOO]- 245.11429 166.7
[M+CH3COO]- 259.12994 183.8
[M+Na-2H]- 221.09076 148.0
[M]+ 200.11554 140.9
[M]- 200.11664 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