CID 175291

Einecs 277-048-6

Structural Information

Molecular Formula
C11H15N
SMILES
C=C(CC#N)C1CC2CCC1C2
InChI
InChI=1S/C11H15N/c1-8(4-5-12)11-7-9-2-3-10(11)6-9/h9-11H,1-4,6-7H2
InChIKey
OAOBTFQDDZCFJD-UHFFFAOYSA-N
Compound name
3-(2-bicyclo[2.2.1]heptanyl)but-3-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
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]+ 162.12773 141.8
[M+Na]+ 184.10967 151.1
[M-H]- 160.11317 144.2
[M+NH4]+ 179.15427 165.2
[M+K]+ 200.08361 145.3
[M+H-H2O]+ 144.11771 130.7
[M+HCOO]- 206.11865 158.6
[M+CH3COO]- 220.13430 192.3
[M+Na-2H]- 182.09512 143.4
[M]+ 161.11990 134.8
[M]- 161.12100 134.8
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

No patent data available for this compound.