CID 11019720

5-iodo-1-pentyne

Structural Information

Molecular Formula
C5H7I
SMILES
C#CCCCI
InChI
InChI=1S/C5H7I/c1-2-3-4-5-6/h1H,3-5H2
InChIKey
SEHFYZRHGUPLSY-UHFFFAOYSA-N
Compound name
5-iodopent-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

286
Patents

193.95924 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.966516 122.6
[M+Na]+ 216.948458 126.1
[M-H]- 192.951964 116.7
[M+NH4]+ 211.993063 139.5
[M+K]+ 232.922398 129.7
[M+H-H2O]+ 176.956500 109.9
[M+HCOO]- 238.957441 136.7
[M+CH3COO]- 252.973091 183.8
[M+Na-2H]- 214.933906 118.4
[M]+ 193.95869142 116.0
[M]- 193.95978858 116.0
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