CID 534960

1-methylbicyclo[4.1.0]heptane-7,7-dicarbonitrile

Structural Information

Molecular Formula
C10H12N2
SMILES
CC12CCCCC1C2(C#N)C#N
InChI
InChI=1S/C10H12N2/c1-9-5-3-2-4-8(9)10(9,6-11)7-12/h8H,2-5H2,1H3
InChIKey
TYJLWZPRKJYGNN-UHFFFAOYSA-N
Compound name
1-methylbicyclo[4.1.0]heptane-7,7-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.10005 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.107326 144.0
[M+Na]+ 183.089268 163.1
[M-H]- 159.092774 152.6
[M+NH4]+ 178.133873 161.0
[M+K]+ 199.063208 152.6
[M+H-H2O]+ 143.097310 135.8
[M+HCOO]- 205.098251 157.5
[M+CH3COO]- 219.113901 214.2
[M+Na-2H]- 181.074716 151.5
[M]+ 160.09950142 140.4
[M]- 160.10059858 140.4
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.