CID 3045979

3-cyano-5-norbornene-2-propionitrile

Structural Information

Molecular Formula
C11H12N2
SMILES
C1C2C=CC1C(C2CCC#N)C#N
InChI
InChI=1S/C11H12N2/c12-5-1-2-10-8-3-4-9(6-8)11(10)7-13/h3-4,8-11H,1-2,6H2
InChIKey
PEMAPXPHTXIHAU-UHFFFAOYSA-N
Compound name
3-(2-cyanoethyl)bicyclo[2.2.1]hept-5-ene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

172.10005 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.107326 152.5
[M+Na]+ 195.089268 164.0
[M-H]- 171.092774 155.8
[M+NH4]+ 190.133873 169.6
[M+K]+ 211.063208 156.7
[M+H-H2O]+ 155.097310 138.3
[M+HCOO]- 217.098251 164.6
[M+CH3COO]- 231.113901 214.5
[M+Na-2H]- 193.074716 153.7
[M]+ 172.09950142 145.2
[M]- 172.10059858 145.2
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