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
2
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]+ 283.27440 168.5
[M+Na]+ 305.25634 172.3
[M-H]- 281.25984 167.5
[M+NH4]+ 300.30094 182.8
[M+K]+ 321.23028 170.2
[M+H-H2O]+ 265.26438 155.2
[M+HCOO]- 327.26532 186.0
[M+CH3COO]- 341.28097 218.5
[M+Na-2H]- 303.24179 169.5
[M]+ 282.26657 168.5
[M]- 282.26767 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