CID 12643190

1-pentynyl iodide

Structural Information

Molecular Formula
C5H7I
SMILES
CCCC#CI
InChI
InChI=1S/C5H7I/c1-2-3-4-5-6/h2-3H2,1H3
InChIKey
UWPKZGBPLFRGAH-UHFFFAOYSA-N
Compound name
1-iodopent-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

345
Patents

193.95924 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.966516 122.7
[M+Na]+ 216.948458 126.3
[M-H]- 192.951964 116.9
[M+NH4]+ 211.993063 139.7
[M+K]+ 232.922398 130.0
[M+H-H2O]+ 176.956500 110.1
[M+HCOO]- 238.957441 136.8
[M+CH3COO]- 252.973091 183.3
[M+Na-2H]- 214.933906 118.6
[M]+ 193.95869142 116.1
[M]- 193.95978858 116.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe