CID 89270

1,4-cyclohexanedicarboxamide

Structural Information

Molecular Formula
C8H14N2O2
SMILES
C1CC(CCC1C(=O)N)C(=O)N
InChI
InChI=1S/C8H14N2O2/c9-7(11)5-1-2-6(4-3-5)8(10)12/h5-6H,1-4H2,(H2,9,11)(H2,10,12)
InChIKey
ZWUNKULTLYLLTH-UHFFFAOYSA-N
Compound name
cyclohexane-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

455
Patents

170.10553 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.11281 137.5
[M+Na]+ 193.09475 141.4
[M-H]- 169.09825 139.4
[M+NH4]+ 188.13935 156.3
[M+K]+ 209.06869 140.5
[M+H-H2O]+ 153.10279 131.5
[M+HCOO]- 215.10373 157.6
[M+CH3COO]- 229.11938 183.3
[M+Na-2H]- 191.08020 138.4
[M]+ 170.10498 129.7
[M]- 170.10608 129.7
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