CID 137346510

2231099-59-3

Structural Information

Molecular Formula
C3H6N2O2
SMILES
C(C1(N=N1)CO)O
InChI
InChI=1S/C3H6N2O2/c6-1-3(2-7)4-5-3/h6-7H,1-2H2
InChIKey
DDDYUEZXLYCRHD-UHFFFAOYSA-N
Compound name
[3-(hydroxymethyl)diazirin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

102.04293 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.050206 124.3
[M+Na]+ 125.032148 135.7
[M-H]- 101.035654 124.5
[M+NH4]+ 120.076753 140.7
[M+K]+ 141.006088 133.7
[M+H-H2O]+ 85.040190 119.0
[M+HCOO]- 147.041131 145.6
[M+CH3COO]- 161.056781 164.0
[M+Na-2H]- 123.017596 133.8
[M]+ 102.04238142 127.5
[M]- 102.04347858 127.5
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.