CID 10962

1-iodobutane

Structural Information

Molecular Formula
C4H9I
SMILES
CCCCI
InChI
InChI=1S/C4H9I/c1-2-3-4-5/h2-4H2,1H3
InChIKey
KMGBZBJJOKUPIA-UHFFFAOYSA-N
Compound name
1-iodobutane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

27
References

22247
Patents

183.9749 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.982176 123.2
[M+Na]+ 206.964118 124.0
[M-H]- 182.967624 117.1
[M+NH4]+ 202.008723 142.5
[M+K]+ 222.938058 129.9
[M+H-H2O]+ 166.972160 115.7
[M+HCOO]- 228.973101 142.3
[M+CH3COO]- 242.988751 173.8
[M+Na-2H]- 204.949566 118.7
[M]+ 183.97435142 121.4
[M]- 183.97544858 121.4
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