CID 3062541

Brn 6486772

Structural Information

Molecular Formula
C10H18ClN3O5
SMILES
C[C@@H]1[C@H]([C@@H](C[C@H](O1)OC)NC(=O)N(CCCl)N=O)O
InChI
InChI=1S/C10H18ClN3O5/c1-6-9(15)7(5-8(18-2)19-6)12-10(16)14(13-17)4-3-11/h6-9,15H,3-5H2,1-2H3,(H,12,16)/t6-,7-,8+,9-/m1/s1
InChIKey
VRHYBKAJHOTINF-LURQLKTLSA-N
Compound name
1-(2-chloroethyl)-3-[(2R,3S,4R,6S)-3-hydroxy-6-methoxy-2-methyloxan-4-yl]-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

295.0935 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.10078 165.2
[M+Na]+ 318.08272 170.3
[M-H]- 294.08622 170.4
[M+NH4]+ 313.12732 180.0
[M+K]+ 334.05666 171.1
[M+H-H2O]+ 278.09076 158.9
[M+HCOO]- 340.09170 183.6
[M+CH3COO]- 354.10735 210.0
[M+Na-2H]- 316.06817 167.5
[M]+ 295.09295 169.0
[M]- 295.09405 169.0
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.