CID 201602

6340-35-8

Structural Information

Molecular Formula
C5H11N2
SMILES
C[N+](C)(C)CC#N
InChI
InChI=1S/C5H11N2/c1-7(2,3)5-4-6/h5H2,1-3H3/q+1
InChIKey
FCFDNBCKGVPNOG-UHFFFAOYSA-N
Compound name
cyanomethyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

334
Patents

99.092224 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.09950 118.8
[M+Na]+ 122.08144 128.1
[M-H]- 98.084948 121.6
[M+NH4]+ 117.12605 140.4
[M+K]+ 138.05538 124.2
[M+H-H2O]+ 82.089484 110.9
[M+HCOO]- 144.09042 139.9
[M+CH3COO]- 158.10608 180.6
[M+Na-2H]- 120.06689 129.3
[M]+ 99.091675 113.7
[M]- 99.092773 113.7
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