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

214
Patents

115.06333 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 121.5
[M+Na]+ 138.05255 130.6
[M-H]- 114.05605 125.4
[M+NH4]+ 133.09715 140.1
[M+K]+ 154.02649 129.6
[M+H-H2O]+ 98.060590 117.5
[M+HCOO]- 160.06153 144.8
[M+CH3COO]- 174.07718 172.0
[M+Na-2H]- 136.03800 129.3
[M]+ 115.06278 123.1
[M]- 115.06388 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