CID 20444821

Schembl11081202

Structural Information

Molecular Formula
C11H22N2
SMILES
CCCCC(CC)CNCCC#N
InChI
InChI=1S/C11H22N2/c1-3-5-7-11(4-2)10-13-9-6-8-12/h11,13H,3-7,9-10H2,1-2H3
InChIKey
CNMWHDXYWDRZLD-UHFFFAOYSA-N
Compound name
3-(2-ethylhexylamino)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

182.1783 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.185576 143.4
[M+Na]+ 205.167518 149.5
[M-H]- 181.171024 143.4
[M+NH4]+ 200.212123 161.3
[M+K]+ 221.141458 148.3
[M+H-H2O]+ 165.175560 131.3
[M+HCOO]- 227.176501 162.3
[M+CH3COO]- 241.192151 200.7
[M+Na-2H]- 203.152966 147.0
[M]+ 182.17775142 140.1
[M]- 182.17884858 140.1
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.