CID 314171

Acetonitrile, 2,2',2'',2'''-(1,3-propanediyldinitrilo)tetrakis-

Structural Information

Molecular Formula
C11H14N6
SMILES
C(CN(CC#N)CC#N)CN(CC#N)CC#N
InChI
InChI=1S/C11H14N6/c12-2-8-16(9-3-13)6-1-7-17(10-4-14)11-5-15/h1,6-11H2
InChIKey
KSCJDIGKTDTGDE-UHFFFAOYSA-N
Compound name
2-[3-[bis(cyanomethyl)amino]propyl-(cyanomethyl)amino]acetonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

230.12799 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.13527 161.3
[M+Na]+ 253.11721 165.0
[M-H]- 229.12071 165.0
[M+NH4]+ 248.16181 164.9
[M+K]+ 269.09115 164.6
[M+H-H2O]+ 213.12525 152.8
[M+HCOO]- 275.12619 163.3
[M+CH3COO]- 289.14184 249.4
[M+Na-2H]- 251.10266 158.9
[M]+ 230.12744 156.6
[M]- 230.12854 156.6
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