CID 81250

1,2-diethyldiaziridine

Structural Information

Molecular Formula
C5H12N2
SMILES
CCN1CN1CC
InChI
InChI=1S/C5H12N2/c1-3-6-5-7(6)4-2/h3-5H2,1-2H3
InChIKey
PWDZFUBSTVFGCD-UHFFFAOYSA-N
Compound name
1,2-diethyldiaziridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

100.10005 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.10733 128.1
[M+Na]+ 123.08927 138.7
[M-H]- 99.092774 130.3
[M+NH4]+ 118.13387 144.4
[M+K]+ 139.06321 136.9
[M+H-H2O]+ 83.097310 121.1
[M+HCOO]- 145.09825 150.1
[M+CH3COO]- 159.11390 173.0
[M+Na-2H]- 121.07472 134.9
[M]+ 100.09950 131.3
[M]- 100.10060 131.3
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