CID 130048082

[(4-iodo-1h-pyrrol-2-yl)methyl](methyl)amine

Structural Information

Molecular Formula
C6H9IN2
SMILES
CNCC1=CC(=CN1)I
InChI
InChI=1S/C6H9IN2/c1-8-4-6-2-5(7)3-9-6/h2-3,8-9H,4H2,1H3
InChIKey
MWZVEVFEEODSJW-UHFFFAOYSA-N
Compound name
1-(4-iodo-1H-pyrrol-2-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.98105 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.98833 135.6
[M+Na]+ 258.97027 136.5
[M-H]- 234.97377 129.9
[M+NH4]+ 254.01487 152.3
[M+K]+ 274.94421 140.0
[M+H-H2O]+ 218.97831 126.0
[M+HCOO]- 280.97925 154.6
[M+CH3COO]- 294.99490 180.2
[M+Na-2H]- 256.95572 129.4
[M]+ 235.98050 130.9
[M]- 235.98160 130.9
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.