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
3
Annotation Hits

5
References

102
Patents

129.1266 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.13388 129.1
[M+Na]+ 152.11582 136.8
[M-H]- 128.11932 131.7
[M+NH4]+ 147.16042 144.3
[M+K]+ 168.08976 134.2
[M+H-H2O]+ 112.12386 122.1
[M+HCOO]- 174.12480 153.6
[M+CH3COO]- 188.14045 180.6
[M+Na-2H]- 150.10127 136.3
[M]+ 129.12605 129.6
[M]- 129.12715 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