CID 194581

84182-60-5

Structural Information

Molecular Formula
C5H9NO2
SMILES
C1C(CC1N)C(=O)O
InChI
InChI=1S/C5H9NO2/c6-4-1-3(2-4)5(7)8/h3-4H,1-2,6H2,(H,7,8)
InChIKey
YRGRLZXBOJQQDP-UHFFFAOYSA-N
Compound name
3-aminocyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

358
Patents

115.06333 Da
Monoisotopic Mass

-2.9
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