CID 299607

3,3'-(iminobistrimethylene)bis(2-norbornanenitrile)

Structural Information

Molecular Formula
C22H33N3
SMILES
C1CC2CC1C(C2C#N)CCCNCCCC3C4CCC(C4)C3C#N
InChI
InChI=1S/C22H33N3/c23-13-21-17-7-5-15(11-17)19(21)3-1-9-25-10-2-4-20-16-6-8-18(12-16)22(20)14-24/h15-22,25H,1-12H2
InChIKey
PYJXSKNNVJJAPZ-UHFFFAOYSA-N
Compound name
3-[3-[3-(3-cyano-2-bicyclo[2.2.1]heptanyl)propylamino]propyl]bicyclo[2.2.1]heptane-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.26746 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.27474 185.3
[M+Na]+ 362.25668 194.7
[M-H]- 338.26018 188.9
[M+NH4]+ 357.30128 200.8
[M+K]+ 378.23062 181.6
[M+H-H2O]+ 322.26472 171.4
[M+HCOO]- 384.26566 193.6
[M+CH3COO]- 398.28131 190.5
[M+Na-2H]- 360.24213 180.6
[M]+ 339.26691 177.1
[M]- 339.26801 177.1
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.