CID 83879232

2-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)acetic acid

Structural Information

Molecular Formula
C10H13NO3
SMILES
CC1=NC2=C(O1)CCCC2CC(=O)O
InChI
InChI=1S/C10H13NO3/c1-6-11-10-7(5-9(12)13)3-2-4-8(10)14-6/h7H,2-5H2,1H3,(H,12,13)
InChIKey
BEYMWEGJHMFOTQ-UHFFFAOYSA-N
Compound name
2-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.08954 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.096816 141.0
[M+Na]+ 218.078758 148.7
[M-H]- 194.082264 143.4
[M+NH4]+ 213.123363 160.1
[M+K]+ 234.052698 147.7
[M+H-H2O]+ 178.086800 135.4
[M+HCOO]- 240.087741 159.1
[M+CH3COO]- 254.103391 180.9
[M+Na-2H]- 216.064206 145.2
[M]+ 195.08899142 141.0
[M]- 195.09008858 141.0
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

No patent data available for this compound.