CID 121553162

Rac-(2r,3s)-2-(aminomethyl)oxolane-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C6H11NO3
SMILES
C1CO[C@H]([C@H]1C(=O)O)CN
InChI
InChI=1S/C6H11NO3/c7-3-5-4(6(8)9)1-2-10-5/h4-5H,1-3,7H2,(H,8,9)/t4-,5-/m0/s1
InChIKey
HKNORPNDZRTTBF-WHFBIAKZSA-N
Compound name
(2R,3S)-2-(aminomethyl)oxolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.0739 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.081176 129.6
[M+Na]+ 168.063118 135.6
[M-H]- 144.066624 131.8
[M+NH4]+ 163.107723 150.0
[M+K]+ 184.037058 135.9
[M+H-H2O]+ 128.071160 124.6
[M+HCOO]- 190.072101 150.6
[M+CH3COO]- 204.087751 171.9
[M+Na-2H]- 166.048566 133.0
[M]+ 145.07335142 126.4
[M]- 145.07444858 126.4
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.