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
trans-(1S,2R)-2-(aminomethyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

39
Patents

115.06333 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.070606 120.1
[M+Na]+ 138.052548 129.5
[M-H]- 114.056054 123.6
[M+NH4]+ 133.097153 136.9
[M+K]+ 154.026488 127.1
[M+H-H2O]+ 98.060590 115.0
[M+HCOO]- 160.061531 143.2
[M+CH3COO]- 174.077181 172.9
[M+Na-2H]- 136.037996 125.3
[M]+ 115.06278142 120.7
[M]- 115.06387858 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