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

2
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

patents stripe