CID 20003

4075-90-5

Structural Information

Molecular Formula
C8H16N
SMILES
CCC#CC[N+](C)(C)C
InChI
InChI=1S/C8H16N/c1-5-6-7-8-9(2,3)4/h5,8H2,1-4H3/q+1
InChIKey
CLROAKXESZBFDG-UHFFFAOYSA-N
Compound name
trimethyl(pent-2-ynyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

126.12827 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.135546 128.7
[M+Na]+ 149.117488 137.7
[M-H]- 125.120994 130.2
[M+NH4]+ 144.162093 149.4
[M+K]+ 165.091428 132.1
[M+H-H2O]+ 109.125530 121.2
[M+HCOO]- 171.126471 146.9
[M+CH3COO]- 185.142121 180.9
[M+Na-2H]- 147.102936 137.2
[M]+ 126.12772142 123.7
[M]- 126.12881858 123.7
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