CID 47277708

Methyl 3-[(1,3-benzoxazol-2-yl)amino]propanoate

Structural Information

Molecular Formula
C11H12N2O3
SMILES
COC(=O)CCNC1=NC2=CC=CC=C2O1
InChI
InChI=1S/C11H12N2O3/c1-15-10(14)6-7-12-11-13-8-4-2-3-5-9(8)16-11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKey
DAJLYVDAFQOOOP-UHFFFAOYSA-N
Compound name
methyl 3-(1,3-benzoxazol-2-ylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

220.0848 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09208 145.4
[M+Na]+ 243.07402 154.3
[M-H]- 219.07752 149.7
[M+NH4]+ 238.11862 163.8
[M+K]+ 259.04796 153.3
[M+H-H2O]+ 203.08206 138.4
[M+HCOO]- 265.08300 170.0
[M+CH3COO]- 279.09865 188.6
[M+Na-2H]- 241.05947 153.5
[M]+ 220.08425 150.6
[M]- 220.08535 150.6
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