CID 99008

61137-60-8

Structural Information

Molecular Formula
C10H16ClN3O4
SMILES
C1CC(CC(C1)NC(=O)N(CCCl)N=O)C(=O)O
InChI
InChI=1S/C10H16ClN3O4/c11-4-5-14(13-18)10(17)12-8-3-1-2-7(6-8)9(15)16/h7-8H,1-6H2,(H,12,17)(H,15,16)
InChIKey
JGNCPDIXBOCXTN-UHFFFAOYSA-N
Compound name
3-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

277.08295 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.09023 159.4
[M+Na]+ 300.07217 162.8
[M-H]- 276.07567 163.4
[M+NH4]+ 295.11677 175.5
[M+K]+ 316.04611 162.1
[M+H-H2O]+ 260.08021 153.2
[M+HCOO]- 322.08115 177.9
[M+CH3COO]- 336.09680 205.1
[M+Na-2H]- 298.05762 161.0
[M]+ 277.08240 159.2
[M]- 277.08350 159.2
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.