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]+ 130.097486 131.7
[M+Na]+ 152.079428 141.9
[M-H]- 128.082934 132.4
[M+NH4]+ 147.124033 147.3
[M+K]+ 168.053368 139.5
[M+H-H2O]+ 112.087470 125.7
[M+HCOO]- 174.088411 154.1
[M+CH3COO]- 188.104061 174.3
[M+Na-2H]- 150.064876 140.2
[M]+ 129.08966142 134.4
[M]- 129.09075858 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.