CID 64146729

Methyl 2-amino-3-(oxolan-2-yl)propanoate

Structural Information

Molecular Formula
C8H15NO3
SMILES
COC(=O)C(CC1CCCO1)N
InChI
InChI=1S/C8H15NO3/c1-11-8(10)7(9)5-6-3-2-4-12-6/h6-7H,2-5,9H2,1H3
InChIKey
ZEABOYPSFRAEPM-UHFFFAOYSA-N
Compound name
methyl 2-amino-3-(oxolan-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

173.1052 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 139.7
[M+Na]+ 196.09442 144.2
[M-H]- 172.09792 142.7
[M+NH4]+ 191.13902 159.4
[M+K]+ 212.06836 145.4
[M+H-H2O]+ 156.10246 134.0
[M+HCOO]- 218.10340 160.6
[M+CH3COO]- 232.11905 179.5
[M+Na-2H]- 194.07987 141.9
[M]+ 173.10465 138.0
[M]- 173.10575 138.0
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

patents stripe