CID 15033901

139126-45-7

Structural Information

Molecular Formula
C5H9NO2
SMILES
C1CC1(CN)C(=O)O
InChI
InChI=1S/C5H9NO2/c6-3-5(1-2-5)4(7)8/h1-3,6H2,(H,7,8)
InChIKey
MJQJJFZHAQFTDZ-UHFFFAOYSA-N
Compound name
1-(aminomethyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

468
Patents

115.06333 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 121.4
[M+Na]+ 138.05255 130.5
[M-H]- 114.05605 124.8
[M+NH4]+ 133.09715 139.8
[M+K]+ 154.02649 129.2
[M+H-H2O]+ 98.060590 117.4
[M+HCOO]- 160.06153 144.1
[M+CH3COO]- 174.07718 171.4
[M+Na-2H]- 136.03800 128.3
[M]+ 115.06278 122.0
[M]- 115.06388 122.0
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