CID 93238

Cis-cccnu

Structural Information

Molecular Formula
C10H16ClN3O4
SMILES
C1CC(CCC1C(=O)O)NC(=O)N(CCCl)N=O
InChI
InChI=1S/C10H16ClN3O4/c11-5-6-14(13-18)10(17)12-8-3-1-7(2-4-8)9(15)16/h7-8H,1-6H2,(H,12,17)(H,15,16)
InChIKey
VGKZBAMIYUHSMU-UHFFFAOYSA-N
Compound name
4-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

877
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

patents stripe