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]+ 194.96652 123.3
[M+Na]+ 216.94846 126.6
[M-H]- 192.95196 117.5
[M+NH4]+ 211.99306 140.1
[M+K]+ 232.92240 130.6
[M+H-H2O]+ 176.95650 110.6
[M+HCOO]- 238.95744 136.5
[M+CH3COO]- 252.97309 184.5
[M+Na-2H]- 214.93391 118.0
[M]+ 193.95869 116.1
[M]- 193.95979 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