CID 4167036

82277-17-6

Structural Information

Molecular Formula
C12H22N2O4
SMILES
C1CCC(C1)OC(=O)NCCCCC(C(=O)O)N
InChI
InChI=1S/C12H22N2O4/c13-10(11(15)16)7-3-4-8-14-12(17)18-9-5-1-2-6-9/h9-10H,1-8,13H2,(H,14,17)(H,15,16)
InChIKey
ZHGGYCNHXLZKHG-UHFFFAOYSA-N
Compound name
2-amino-6-(cyclopentyloxycarbonylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

258.15796 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.16524 162.4
[M+Na]+ 281.14718 163.6
[M-H]- 257.15068 162.6
[M+NH4]+ 276.19178 178.5
[M+K]+ 297.12112 162.8
[M+H-H2O]+ 241.15522 155.3
[M+HCOO]- 303.15616 181.8
[M+CH3COO]- 317.17181 195.9
[M+Na-2H]- 279.13263 160.4
[M]+ 258.15741 158.8
[M]- 258.15851 158.8
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