CID 20003

2-pentynyltrimethylammonium iodide

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]+ 127.13555 128.7
[M+Na]+ 149.11749 137.7
[M-H]- 125.12099 130.2
[M+NH4]+ 144.16209 149.4
[M+K]+ 165.09143 132.1
[M+H-H2O]+ 109.12553 121.2
[M+HCOO]- 171.12647 146.9
[M+CH3COO]- 185.14212 180.9
[M+Na-2H]- 147.10294 137.2
[M]+ 126.12772 123.7
[M]- 126.12882 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