CID 35456

30758-34-0

Structural Information

Molecular Formula
C8H11N
SMILES
CC1(C(CC1=C)C#N)C
InChI
InChI=1S/C8H11N/c1-6-4-7(5-9)8(6,2)3/h7H,1,4H2,2-3H3
InChIKey
WMRQQFSYNXFYJW-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3-methylidenecyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

121.08915 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.096426 120.0
[M+Na]+ 144.078368 129.7
[M-H]- 120.081874 124.7
[M+NH4]+ 139.122973 136.9
[M+K]+ 160.052308 131.3
[M+H-H2O]+ 104.086410 106.5
[M+HCOO]- 166.087351 138.8
[M+CH3COO]- 180.103001 189.5
[M+Na-2H]- 142.063816 126.1
[M]+ 121.08860142 122.8
[M]- 121.08969858 122.8
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

patents stripe