CID 13039550

1818847-78-7

Structural Information

Molecular Formula
C5H9NO2
SMILES
C1C[C@H]([C@@H]1C(=O)O)N
InChI
InChI=1S/C5H9NO2/c6-4-2-1-3(4)5(7)8/h3-4H,1-2,6H2,(H,7,8)/t3-,4-/m1/s1
InChIKey
NSQMWZLLTGEDQU-QWWZWVQMSA-N
Compound name
trans-(1R,2R)-2-aminocyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

12
Patents

115.06333 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.070606 122.9
[M+Na]+ 138.052548 128.1
[M-H]- 114.056054 124.8
[M+NH4]+ 133.097153 137.6
[M+K]+ 154.026488 130.7
[M+H-H2O]+ 98.060590 112.7
[M+HCOO]- 160.061531 143.6
[M+CH3COO]- 174.077181 172.4
[M+Na-2H]- 136.037996 126.6
[M]+ 115.06278142 127.7
[M]- 115.06387858 127.7
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