CID 56649

93507-59-6

Structural Information

Molecular Formula
C9H19N2
SMILES
CCC[N+](C)(C)CCCC#N
InChI
InChI=1S/C9H19N2/c1-4-8-11(2,3)9-6-5-7-10/h4-6,8-9H2,1-3H3/q+1
InChIKey
PKLHIRSZYRDFDC-UHFFFAOYSA-N
Compound name
3-cyanopropyl-dimethyl-propylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.15483 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.16211 135.2
[M+Na]+ 178.14405 143.1
[M-H]- 154.14755 137.4
[M+NH4]+ 173.18865 154.9
[M+K]+ 194.11799 138.1
[M+H-H2O]+ 138.15209 126.6
[M+HCOO]- 200.15303 155.2
[M+CH3COO]- 214.16868 191.6
[M+Na-2H]- 176.12950 143.9
[M]+ 155.15428 131.6
[M]- 155.15538 131.6
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

No patent data available for this compound.