CID 535890

2-(1,2-dimethyl-propylidene)-malononitrile

Structural Information

Molecular Formula
C8H10N2
SMILES
CC(C)C(=C(C#N)C#N)C
InChI
InChI=1S/C8H10N2/c1-6(2)7(3)8(4-9)5-10/h6H,1-3H3
InChIKey
SZQDVOLRVOUCSJ-UHFFFAOYSA-N
Compound name
2-(3-methylbutan-2-ylidene)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

134.0844 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.09168 145.0
[M+Na]+ 157.07362 153.3
[M-H]- 133.07712 147.4
[M+NH4]+ 152.11822 159.5
[M+K]+ 173.04756 152.3
[M+H-H2O]+ 117.08166 130.9
[M+HCOO]- 179.08260 156.0
[M+CH3COO]- 193.09825 211.3
[M+Na-2H]- 155.05907 145.6
[M]+ 134.08385 136.6
[M]- 134.08495 136.6
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