CID 98888

N-(2-aminoethyl)-1-aziridineethanamine

Structural Information

Molecular Formula
C6H15N3
SMILES
C1CN1CCNCCN
InChI
InChI=1S/C6H15N3/c7-1-2-8-3-4-9-5-6-9/h8H,1-7H2
InChIKey
XJNAQZHMIAKQOK-UHFFFAOYSA-N
Compound name
N'-[2-(aziridin-1-yl)ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

105
Patents

129.1266 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.133876 129.1
[M+Na]+ 152.115818 136.8
[M-H]- 128.119324 131.7
[M+NH4]+ 147.160423 144.3
[M+K]+ 168.089758 134.2
[M+H-H2O]+ 112.123860 122.1
[M+HCOO]- 174.124801 153.6
[M+CH3COO]- 188.140451 180.6
[M+Na-2H]- 150.101266 136.3
[M]+ 129.12605142 129.6
[M]- 129.12714858 129.6
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