CID 175292

2-butenenitrile, 3-bicyclo[2.2.1]hept-2-yl-

Structural Information

Molecular Formula
C11H15N
SMILES
CC(=CC#N)C1CC2CCC1C2
InChI
InChI=1S/C11H15N/c1-8(4-5-12)11-7-9-2-3-10(11)6-9/h4,9-11H,2-3,6-7H2,1H3
InChIKey
MABXILJZMXOERV-UHFFFAOYSA-N
Compound name
3-(2-bicyclo[2.2.1]heptanyl)but-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

161.12045 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.127726 142.1
[M+Na]+ 184.109668 151.5
[M-H]- 160.113174 144.6
[M+NH4]+ 179.154273 165.6
[M+K]+ 200.083608 145.7
[M+H-H2O]+ 144.117710 131.1
[M+HCOO]- 206.118651 158.9
[M+CH3COO]- 220.134301 191.7
[M+Na-2H]- 182.095116 143.7
[M]+ 161.11990142 135.0
[M]- 161.12099858 135.0
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.