CID 3077439

134259-24-8

Structural Information

Molecular Formula
C9H17NO4
SMILES
C[C@@]1(CCOC[C@@H]1NCCC(=O)O)O
InChI
InChI=1S/C9H17NO4/c1-9(13)3-5-14-6-7(9)10-4-2-8(11)12/h7,10,13H,2-6H2,1H3,(H,11,12)/t7-,9-/m0/s1
InChIKey
UZBZICLVTOAFGB-CBAPKCEASA-N
Compound name
3-[[(3S,4S)-4-hydroxy-4-methyloxan-3-yl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.11575 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.12303 144.9
[M+Na]+ 226.10497 149.2
[M-H]- 202.10847 145.7
[M+NH4]+ 221.14957 162.6
[M+K]+ 242.07891 149.2
[M+H-H2O]+ 186.11301 140.0
[M+HCOO]- 248.11395 162.1
[M+CH3COO]- 262.12960 181.3
[M+Na-2H]- 224.09042 149.8
[M]+ 203.11520 141.8
[M]- 203.11630 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.