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]+ 130.04987 120.7
[M+Na]+ 152.03181 131.0
[M-H]- 128.03531 126.2
[M+NH4]+ 147.07641 141.9
[M+K]+ 168.00575 132.4
[M+H-H2O]+ 112.03985 116.1
[M+HCOO]- 174.04079 146.6
[M+CH3COO]- 188.05644 171.2
[M+Na-2H]- 150.01726 128.6
[M]+ 129.04204 123.7
[M]- 129.04314 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