CID 145913697

2377035-04-4

Structural Information

Molecular Formula
C7H11IN2O
SMILES
CC(C)(N1C=C(N=C1)I)OC
InChI
InChI=1S/C7H11IN2O/c1-7(2,11-3)10-4-6(8)9-5-10/h4-5H,1-3H3
InChIKey
WVCRQDRFCCWVKK-UHFFFAOYSA-N
Compound name
4-iodo-1-(2-methoxypropan-2-yl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.9916 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.99888 140.2
[M+Na]+ 288.98082 142.4
[M-H]- 264.98432 134.8
[M+NH4]+ 284.02542 155.6
[M+K]+ 304.95476 147.5
[M+H-H2O]+ 248.98886 130.4
[M+HCOO]- 310.98980 156.9
[M+CH3COO]- 325.00545 185.9
[M+Na-2H]- 286.96627 134.6
[M]+ 265.99105 139.9
[M]- 265.99215 139.9
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

No patent data available for this compound.