CID 88529413

(4-iodobutyl)(methyl)amine hydroiodide

Structural Information

Molecular Formula
C5H12IN
SMILES
CNCCCCI
InChI
InChI=1S/C5H12IN/c1-7-5-3-2-4-6/h7H,2-5H2,1H3
InChIKey
OVPWEZMWPKRISI-UHFFFAOYSA-N
Compound name
4-iodo-N-methylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

213.00145 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.008726 135.4
[M+Na]+ 235.990668 134.9
[M-H]- 211.994174 129.0
[M+NH4]+ 231.035273 153.2
[M+K]+ 251.964608 140.3
[M+H-H2O]+ 195.998710 127.0
[M+HCOO]- 257.999651 155.0
[M+CH3COO]- 272.015301 181.0
[M+Na-2H]- 233.976116 130.0
[M]+ 213.00090142 133.0
[M]- 213.00199858 133.0
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