CID 456800

Hexdioic di-cnh

Structural Information

Molecular Formula
C8H12N6O2
SMILES
C(CCC(=O)NNC#N)CC(=O)NNC#N
InChI
InChI=1S/C8H12N6O2/c9-5-11-13-7(15)3-1-2-4-8(16)14-12-6-10/h11-12H,1-4H2,(H,13,15)(H,14,16)
InChIKey
XIQYVYXHPRJXMC-UHFFFAOYSA-N
Compound name
[[6-(2-cyanohydrazinyl)-6-oxohexanoyl]amino]cyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.10217 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.10945 160.1
[M+Na]+ 247.09139 164.9
[M-H]- 223.09489 161.1
[M+NH4]+ 242.13599 170.4
[M+K]+ 263.06533 166.1
[M+H-H2O]+ 207.09943 144.0
[M+HCOO]- 269.10037 173.7
[M+CH3COO]- 283.11602 225.5
[M+Na-2H]- 245.07684 161.2
[M]+ 224.10162 150.7
[M]- 224.10272 150.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.