CID 82335

2491-20-5

Structural Information

Molecular Formula
C4H9NO2
SMILES
C[C@@H](C(=O)OC)N
InChI
InChI=1S/C4H9NO2/c1-3(5)4(6)7-2/h3H,5H2,1-2H3/t3-/m0/s1
InChIKey
DWKPPFQULDPWHX-VKHMYHEASA-N
Compound name
methyl (2S)-2-aminopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

50
References

13206
Patents

103.06333 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.070606 119.8
[M+Na]+ 126.052548 126.9
[M-H]- 102.056054 120.0
[M+NH4]+ 121.097153 142.4
[M+K]+ 142.026488 128.0
[M+H-H2O]+ 86.060590 115.3
[M+HCOO]- 148.061531 143.3
[M+CH3COO]- 162.077181 169.2
[M+Na-2H]- 124.037996 124.5
[M]+ 103.06278142 119.2
[M]- 103.06387858 119.2
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