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]+ 115.05021 127.7
[M+Na]+ 137.03215 139.1
[M-H]- 113.03565 129.2
[M+NH4]+ 132.07675 144.2
[M+K]+ 153.00609 137.7
[M+H-H2O]+ 97.040190 122.1
[M+HCOO]- 159.04113 149.3
[M+CH3COO]- 173.05678 169.3
[M+Na-2H]- 135.01760 136.0
[M]+ 114.04238 131.8
[M]- 114.04348 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