CID 55300325

16297-95-3

Structural Information

Molecular Formula
C4H6N2O2
SMILES
CC1(N=N1)CC(=O)O
InChI
InChI=1S/C4H6N2O2/c1-4(5-6-4)2-3(7)8/h2H2,1H3,(H,7,8)
InChIKey
IZMJXSJIJTWBBX-UHFFFAOYSA-N
Compound name
2-(3-methyldiazirin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

114.04293 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.050206 127.7
[M+Na]+ 137.032148 139.1
[M-H]- 113.035654 129.2
[M+NH4]+ 132.076753 144.2
[M+K]+ 153.006088 137.7
[M+H-H2O]+ 97.040190 122.1
[M+HCOO]- 159.041131 149.3
[M+CH3COO]- 173.056781 169.3
[M+Na-2H]- 135.017596 136.0
[M]+ 114.04238142 131.8
[M]- 114.04347858 131.8
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

patents stripe