CID 1502041

253783-04-9

Structural Information

Molecular Formula
C5H9NO2
SMILES
C1[C@H]([C@H]1C(=O)O)CN
InChI
InChI=1S/C5H9NO2/c6-2-3-1-4(3)5(7)8/h3-4H,1-2,6H2,(H,7,8)/t3-,4-/m0/s1
InChIKey
QUFMERRXRMSAPZ-IMJSIDKUSA-N
Compound name
(1S,2R)-2-(aminomethyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

52
Patents

115.06333 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 120.1
[M+Na]+ 138.05255 129.5
[M-H]- 114.05605 123.6
[M+NH4]+ 133.09715 136.9
[M+K]+ 154.02649 127.1
[M+H-H2O]+ 98.060590 115.0
[M+HCOO]- 160.06153 143.2
[M+CH3COO]- 174.07718 172.9
[M+Na-2H]- 136.03800 125.3
[M]+ 115.06278 120.7
[M]- 115.06388 120.7
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