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]+ 227.175396 156.4
[M+Na]+ 249.157338 159.0
[M-H]- 225.160844 156.9
[M+NH4]+ 244.201943 174.3
[M+K]+ 265.131278 156.4
[M+H-H2O]+ 209.165380 149.9
[M+HCOO]- 271.166321 176.3
[M+CH3COO]- 285.181971 193.2
[M+Na-2H]- 247.142786 154.7
[M]+ 226.16757142 151.2
[M]- 226.16866858 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.