CID 98897

52320-89-5

Structural Information

Molecular Formula
C11H18ClN3O4
SMILES
C1CC(CCC1CC(=O)O)NC(=O)N(CCCl)N=O
InChI
InChI=1S/C11H18ClN3O4/c12-5-6-15(14-19)11(18)13-9-3-1-8(2-4-9)7-10(16)17/h8-9H,1-7H2,(H,13,18)(H,16,17)
InChIKey
RGSCZHWAYJQOJX-UHFFFAOYSA-N
Compound name
2-[4-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

291.09857 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10585 163.1
[M+Na]+ 314.08779 168.9
[M+NH4]+ 309.13239 168.3
[M+K]+ 330.06173 165.6
[M-H]- 290.09129 163.6
[M+Na-2H]- 312.07324 165.0
[M]+ 291.09802 163.6
[M]- 291.09912 163.6
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.