CID 299718

3-(3-(dimethylamino)propyl)-2-norbornanenitrile

Structural Information

Molecular Formula
C13H22N2
SMILES
CN(C)CCCC1C2CCC(C2)C1C#N
InChI
InChI=1S/C13H22N2/c1-15(2)7-3-4-12-10-5-6-11(8-10)13(12)9-14/h10-13H,3-8H2,1-2H3
InChIKey
YYBDIHDEKZQHRS-UHFFFAOYSA-N
Compound name
3-[3-(dimethylamino)propyl]bicyclo[2.2.1]heptane-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.1783 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.185576 151.7
[M+Na]+ 229.167518 160.1
[M-H]- 205.171024 155.1
[M+NH4]+ 224.212123 174.0
[M+K]+ 245.141458 155.4
[M+H-H2O]+ 189.175560 139.9
[M+HCOO]- 251.176501 169.8
[M+CH3COO]- 265.192151 206.1
[M+Na-2H]- 227.152966 152.7
[M]+ 206.17775142 147.2
[M]- 206.17884858 147.2
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

No patent data available for this compound.