CID 53919771

2230804-13-2

Structural Information

Molecular Formula
C5H7NO3
SMILES
CC1=C(OC(=O)O1)CN
InChI
InChI=1S/C5H7NO3/c1-3-4(2-6)9-5(7)8-3/h2,6H2,1H3
InChIKey
WIEGQXSJSQWJCK-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-5-methyl-1,3-dioxol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

129.04259 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.049866 120.7
[M+Na]+ 152.031808 131.0
[M-H]- 128.035314 126.2
[M+NH4]+ 147.076413 141.9
[M+K]+ 168.005748 132.4
[M+H-H2O]+ 112.039850 116.1
[M+HCOO]- 174.040791 146.6
[M+CH3COO]- 188.056441 171.2
[M+Na-2H]- 150.017256 128.6
[M]+ 129.04204142 123.7
[M]- 129.04313858 123.7
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