CID 1501944

(2s)-2-amino-2-cyclopropylacetic acid

Structural Information

Molecular Formula
C5H9NO2
SMILES
C1CC1[C@@H](C(=O)O)N
InChI
InChI=1S/C5H9NO2/c6-4(5(7)8)3-1-2-3/h3-4H,1-2,6H2,(H,7,8)/t4-/m0/s1
InChIKey
BUSBCPMSNBMUMT-BYPYZUCNSA-N
Compound name
(2S)-2-amino-2-cyclopropylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1020
Patents

115.06333 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.070606 120.3
[M+Na]+ 138.052548 128.5
[M-H]- 114.056054 123.5
[M+NH4]+ 133.097153 136.7
[M+K]+ 154.026488 126.7
[M+H-H2O]+ 98.060590 115.0
[M+HCOO]- 160.061531 142.5
[M+CH3COO]- 174.077181 172.7
[M+Na-2H]- 136.037996 125.0
[M]+ 115.06278142 119.9
[M]- 115.06387858 119.9
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