CID 5488191

2812-31-9

Structural Information

Molecular Formula
C5H11NO2
SMILES
C[C@@H](C(=O)O)N(C)C
InChI
InChI=1S/C5H11NO2/c1-4(5(7)8)6(2)3/h4H,1-3H3,(H,7,8)/t4-/m0/s1
InChIKey
QCYOIFVBYZNUNW-BYPYZUCNSA-N
Compound name
(2S)-2-(dimethylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

18
References

21943
Patents

117.07898 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.08626 123.9
[M+Na]+ 140.06820 130.3
[M-H]- 116.07170 124.6
[M+NH4]+ 135.11280 146.1
[M+K]+ 156.04214 132.0
[M+H-H2O]+ 100.07624 119.3
[M+HCOO]- 162.07718 146.7
[M+CH3COO]- 176.09283 174.6
[M+Na-2H]- 138.05365 127.9
[M]+ 117.07843 124.2
[M]- 117.07953 124.2
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