CID 121210416

2098034-58-1

Structural Information

Molecular Formula
C5H11N3O
SMILES
C(CN)C1(N=N1)CCO
InChI
InChI=1S/C5H11N3O/c6-3-1-5(2-4-9)7-8-5/h9H,1-4,6H2
InChIKey
LBXMXVCMMLRCBW-UHFFFAOYSA-N
Compound name
2-[3-(2-aminoethyl)diazirin-3-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

129.09021 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.09749 131.7
[M+Na]+ 152.07943 141.9
[M-H]- 128.08293 132.4
[M+NH4]+ 147.12403 147.3
[M+K]+ 168.05337 139.5
[M+H-H2O]+ 112.08747 125.7
[M+HCOO]- 174.08841 154.1
[M+CH3COO]- 188.10406 174.3
[M+Na-2H]- 150.06488 140.2
[M]+ 129.08966 134.4
[M]- 129.09076 134.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.