CID 14859129

25055-82-7

Structural Information

Molecular Formula
C4H8N2O
SMILES
CC1(N=N1)CCO
InChI
InChI=1S/C4H8N2O/c1-4(2-3-7)5-6-4/h7H,2-3H2,1H3
InChIKey
YXAYZDNOWMFZLL-UHFFFAOYSA-N
Compound name
2-(3-methyldiazirin-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

37
Patents

100.06366 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.070936 125.4
[M+Na]+ 123.052878 136.8
[M-H]- 99.056384 126.8
[M+NH4]+ 118.097483 142.6
[M+K]+ 139.026818 135.3
[M+H-H2O]+ 83.060920 119.7
[M+HCOO]- 145.061861 147.6
[M+CH3COO]- 159.077511 167.5
[M+Na-2H]- 121.038326 134.9
[M]+ 100.06311142 129.3
[M]- 100.06420858 129.3
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