CID 73841

1466-48-4

Structural Information

Molecular Formula
C10H12N4O2
SMILES
C(CC(CCC#N)(CCC#N)[N+](=O)[O-])C#N
InChI
InChI=1S/C10H12N4O2/c11-7-1-4-10(14(15)16,5-2-8-12)6-3-9-13/h1-6H2
InChIKey
MUPJJZVGSOUSFH-UHFFFAOYSA-N
Compound name
4-(2-cyanoethyl)-4-nitroheptanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

960
Patents

220.09602 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.10330 172.2
[M+Na]+ 243.08524 178.1
[M-H]- 219.08874 175.3
[M+NH4]+ 238.12984 179.1
[M+K]+ 259.05918 175.8
[M+H-H2O]+ 203.09328 161.2
[M+HCOO]- 265.09422 177.5
[M+CH3COO]- 279.10987 234.6
[M+Na-2H]- 241.07069 171.4
[M]+ 220.09547 164.6
[M]- 220.09657 164.6
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.