CID 24754433

3-(2-iodoethyl)-3-methyl-3h-diazirine

Structural Information

Molecular Formula
C4H7IN2
SMILES
CC1(N=N1)CCI
InChI
InChI=1S/C4H7IN2/c1-4(2-3-5)6-7-4/h2-3H2,1H3
InChIKey
RVPRDPWXYBAEHO-UHFFFAOYSA-N
Compound name
3-(2-iodoethyl)-3-methyldiazirine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.9654 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.97268 130.8
[M+Na]+ 232.95462 135.4
[M-H]- 208.95812 126.8
[M+NH4]+ 227.99922 143.9
[M+K]+ 248.92856 139.8
[M+H-H2O]+ 192.96266 121.4
[M+HCOO]- 254.96360 149.2
[M+CH3COO]- 268.97925 179.9
[M+Na-2H]- 230.94007 128.8
[M]+ 209.96485 132.5
[M]- 209.96595 132.5
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

No patent data available for this compound.