CID 2735309

Methyl 1-aminocyclopropanecarboxylate

Structural Information

Molecular Formula
C5H9NO2
SMILES
COC(=O)C1(CC1)N
InChI
InChI=1S/C5H9NO2/c1-8-4(7)5(6)2-3-5/h2-3,6H2,1H3
InChIKey
CSHMCEYIMFSLSS-UHFFFAOYSA-N
Compound name
methyl 1-aminocyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

851
Patents

115.06333 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.070606 122.4
[M+Na]+ 138.052548 131.9
[M-H]- 114.056054 127.2
[M+NH4]+ 133.097153 141.5
[M+K]+ 154.026488 131.5
[M+H-H2O]+ 98.060590 118.2
[M+HCOO]- 160.061531 146.5
[M+CH3COO]- 174.077181 173.2
[M+Na-2H]- 136.037996 129.6
[M]+ 115.06278142 124.7
[M]- 115.06387858 124.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe