CID 3085734

3-(3-isodecyloxypropylamino)propionitrile

Structural Information

Molecular Formula
C17H34N2O
SMILES
CC(C)CCCCCCCCOCCCNCCC#N
InChI
InChI=1S/C17H34N2O/c1-17(2)11-7-5-3-4-6-8-15-20-16-10-14-19-13-9-12-18/h17,19H,3-11,13-16H2,1-2H3
InChIKey
JWIXWVDMADJVJP-UHFFFAOYSA-N
Compound name
3-[3-(9-methyldecoxy)propylamino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

282.26712 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.274396 168.5
[M+Na]+ 305.256338 172.3
[M-H]- 281.259844 167.5
[M+NH4]+ 300.300943 182.8
[M+K]+ 321.230278 170.2
[M+H-H2O]+ 265.264380 155.2
[M+HCOO]- 327.265321 186.0
[M+CH3COO]- 341.280971 218.5
[M+Na-2H]- 303.241786 169.5
[M]+ 282.26657142 168.5
[M]- 282.26766858 168.5
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

patents stripe