CID 519544

2-iodo-3-methylbutane

Structural Information

Molecular Formula
C5H11I
SMILES
CC(C)C(C)I
InChI
InChI=1S/C5H11I/c1-4(2)5(3)6/h4-5H,1-3H3
InChIKey
PYXUFKGRYMMOIK-UHFFFAOYSA-N
Compound name
2-iodo-3-methylbutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

197.99055 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.99783 127.6
[M+Na]+ 220.97977 127.6
[M-H]- 196.98327 121.6
[M+NH4]+ 216.02437 146.3
[M+K]+ 236.95371 134.1
[M+H-H2O]+ 180.98781 120.1
[M+HCOO]- 242.98875 144.6
[M+CH3COO]- 257.00440 178.2
[M+Na-2H]- 218.96522 120.3
[M]+ 197.99000 124.9
[M]- 197.99110 124.9
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