CID 503259

3-(acetamidomethyl)-2-amino-4-methoxycarbonyl-cyclopentanecarboxylic acid

Structural Information

Molecular Formula
C11H18N2O5
SMILES
CC(=O)NCC1C(CC(C1N)C(=O)O)C(=O)OC
InChI
InChI=1S/C11H18N2O5/c1-5(14)13-4-8-6(11(17)18-2)3-7(9(8)12)10(15)16/h6-9H,3-4,12H2,1-2H3,(H,13,14)(H,15,16)
InChIKey
VTLBANQRGLTTFT-UHFFFAOYSA-N
Compound name
3-(acetamidomethyl)-2-amino-4-methoxycarbonylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.12158 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.12886 157.7
[M+Na]+ 281.11080 162.3
[M-H]- 257.11430 159.3
[M+NH4]+ 276.15540 174.7
[M+K]+ 297.08474 161.8
[M+H-H2O]+ 241.11884 151.9
[M+HCOO]- 303.11978 177.8
[M+CH3COO]- 317.13543 198.3
[M+Na-2H]- 279.09625 154.6
[M]+ 258.12103 155.8
[M]- 258.12213 155.8
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.