CID 6323178

6-(2-hydroxy-cyclopentyl)-7-oxo-heptanamidine

Structural Information

Molecular Formula
C12H22N2O2
SMILES
C1C[C@@H]([C@H](C1)O)[C@@H](CCCCC(=N)N)C=O
InChI
InChI=1S/C12H22N2O2/c13-12(14)7-2-1-4-9(8-15)10-5-3-6-11(10)16/h8-11,16H,1-7H2,(H3,13,14)/t9-,10+,11-/m0/s1
InChIKey
FCDJKFJACUMSOZ-AXFHLTTASA-N
Compound name
(6R)-6-[(1R,2S)-2-hydroxycyclopentyl]-7-oxoheptanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

226.16812 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17540 156.4
[M+Na]+ 249.15734 159.0
[M-H]- 225.16084 156.9
[M+NH4]+ 244.20194 174.3
[M+K]+ 265.13128 156.4
[M+H-H2O]+ 209.16538 149.9
[M+HCOO]- 271.16632 176.3
[M+CH3COO]- 285.18197 193.2
[M+Na-2H]- 247.14279 154.7
[M]+ 226.16757 151.2
[M]- 226.16867 151.2
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.