CID 25609

3,3-dimethylcyclopropane-1,1,2,2-tetracarbonitrile

Structural Information

Molecular Formula
C9H6N4
SMILES
CC1(C(C1(C#N)C#N)(C#N)C#N)C
InChI
InChI=1S/C9H6N4/c1-7(2)8(3-10,4-11)9(7,5-12)6-13/h1-2H3
InChIKey
JIEYOKFTSKQLLP-UHFFFAOYSA-N
Compound name
3,3-dimethylcyclopropane-1,1,2,2-tetracarbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

170.05925 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.066526 155.8
[M+Na]+ 193.048468 166.3
[M-H]- 169.051974 162.5
[M+NH4]+ 188.093073 162.2
[M+K]+ 209.022408 160.7
[M+H-H2O]+ 153.056510 151.7
[M+HCOO]- 215.057451 159.6
[M+CH3COO]- 229.073101 245.9
[M+Na-2H]- 191.033916 156.3
[M]+ 170.05870142 153.9
[M]- 170.05979858 153.9
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