CID 118987359

3-(but-3-yn-1-yl)-3-(2-iodoethyl)-3h-diazirine

Structural Information

Molecular Formula
C7H9IN2
SMILES
C#CCCC1(N=N1)CCI
InChI
InChI=1S/C7H9IN2/c1-2-3-4-7(5-6-8)9-10-7/h1H,3-6H2
InChIKey
XKVWLCIADFSFAP-UHFFFAOYSA-N
Compound name
3-but-3-ynyl-3-(2-iodoethyl)diazirine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

247.98105 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.98833 134.5
[M+Na]+ 270.97027 141.0
[M+NH4]+ 266.01487 137.1
[M+K]+ 286.94421 135.1
[M-H]- 246.97377 128.6
[M+Na-2H]- 268.95572 131.1
[M]+ 247.98050 133.2
[M]- 247.98160 133.2
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