CID 44145875

3-(bicyclo(2.2.1)hept-5-en-2-yl)acrylonitrile

Structural Information

Molecular Formula
C10H11N
SMILES
C1C2CC(C1C=C2)/C=C/C#N
InChI
InChI=1S/C10H11N/c11-5-1-2-9-6-8-3-4-10(9)7-8/h1-4,8-10H,6-7H2/b2-1+
InChIKey
BDMQXDGYXHJZEC-OWOJBTEDSA-N
Compound name
(E)-3-(2-bicyclo[2.2.1]hept-5-enyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.08914 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.096416 135.5
[M+Na]+ 168.078358 146.5
[M-H]- 144.081864 138.3
[M+NH4]+ 163.122963 159.7
[M+K]+ 184.052298 140.4
[M+H-H2O]+ 128.086400 124.5
[M+HCOO]- 190.087341 154.9
[M+CH3COO]- 204.102991 187.9
[M+Na-2H]- 166.063806 139.6
[M]+ 145.08859142 130.0
[M]- 145.08968858 130.0
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.