CID 85722887

4-iodopent-1-yne

Structural Information

Molecular Formula
C5H7I
SMILES
CC(CC#C)I
InChI
InChI=1S/C5H7I/c1-3-4-5(2)6/h1,5H,4H2,2H3
InChIKey
WLGCWCCGJNCPGH-UHFFFAOYSA-N
Compound name
4-iodopent-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

193.95924 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.966516 123.3
[M+Na]+ 216.948458 126.6
[M-H]- 192.951964 117.5
[M+NH4]+ 211.993063 140.1
[M+K]+ 232.922398 130.6
[M+H-H2O]+ 176.956500 110.6
[M+HCOO]- 238.957441 136.5
[M+CH3COO]- 252.973091 184.5
[M+Na-2H]- 214.933906 118.0
[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

No literature data available for this compound.

Patent stripe

patents stripe