CID 503258

3-(acetamidomethyl)-2-amino-4-[ethyl(isopropyl)carbamoyl]cyclopentanecarboxylic acid

Structural Information

Molecular Formula
C15H27N3O4
SMILES
CCN(C(C)C)C(=O)C1CC(C(C1CNC(=O)C)N)C(=O)O
InChI
InChI=1S/C15H27N3O4/c1-5-18(8(2)3)14(20)10-6-11(15(21)22)13(16)12(10)7-17-9(4)19/h8,10-13H,5-7,16H2,1-4H3,(H,17,19)(H,21,22)
InChIKey
JPNJNRJCLQVXEX-UHFFFAOYSA-N
Compound name
3-(acetamidomethyl)-2-amino-4-[ethyl(propan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

313.20016 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.20744 177.4
[M+Na]+ 336.18938 179.5
[M-H]- 312.19288 179.8
[M+NH4]+ 331.23398 192.4
[M+K]+ 352.16332 179.7
[M+H-H2O]+ 296.19742 170.7
[M+HCOO]- 358.19836 196.4
[M+CH3COO]- 372.21401 217.7
[M+Na-2H]- 334.17483 170.6
[M]+ 313.19961 175.3
[M]- 313.20071 175.3
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.