CID 386197

99324-91-1

Structural Information

Molecular Formula
C5H9NO2
SMILES
CNC1(CC1)C(=O)O
InChI
InChI=1S/C5H9NO2/c1-6-5(2-3-5)4(7)8/h6H,2-3H2,1H3,(H,7,8)
InChIKey
ZCLBLSZZIRMCLZ-UHFFFAOYSA-N
Compound name
1-(methylamino)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

238
Patents

115.06333 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.070606 121.5
[M+Na]+ 138.052548 130.6
[M-H]- 114.056054 125.4
[M+NH4]+ 133.097153 140.1
[M+K]+ 154.026488 129.6
[M+H-H2O]+ 98.060590 117.5
[M+HCOO]- 160.061531 144.8
[M+CH3COO]- 174.077181 172.0
[M+Na-2H]- 136.037996 129.3
[M]+ 115.06278142 123.1
[M]- 115.06387858 123.1
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