CID 547296

64971-37-5

Structural Information

Molecular Formula
C13H28N4
SMILES
CN(C)CCCN(CCCN(C)C)CCC#N
InChI
InChI=1S/C13H28N4/c1-15(2)9-6-12-17(11-5-8-14)13-7-10-16(3)4/h5-7,9-13H2,1-4H3
InChIKey
WAJVSONFDQROAZ-UHFFFAOYSA-N
Compound name
3-[bis[3-(dimethylamino)propyl]amino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

240.2314 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.23868 159.9
[M+Na]+ 263.22062 163.9
[M-H]- 239.22412 163.0
[M+NH4]+ 258.26522 176.5
[M+K]+ 279.19456 165.8
[M+H-H2O]+ 223.22866 145.6
[M+HCOO]- 285.22960 181.9
[M+CH3COO]- 299.24525 223.6
[M+Na-2H]- 261.20607 161.7
[M]+ 240.23085 159.5
[M]- 240.23195 159.5
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