CID 65711231

2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carboxylic acid

Structural Information

Molecular Formula
C9H11NO3
SMILES
CC1=C(OC(=N1)CC2CC2)C(=O)O
InChI
InChI=1S/C9H11NO3/c1-5-8(9(11)12)13-7(10-5)4-6-2-3-6/h6H,2-4H2,1H3,(H,11,12)
InChIKey
HSKDUEFPFDTNNT-UHFFFAOYSA-N
Compound name
2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

181.0739 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.081176 137.5
[M+Na]+ 204.063118 148.1
[M-H]- 180.066624 143.7
[M+NH4]+ 199.107723 151.4
[M+K]+ 220.037058 146.0
[M+H-H2O]+ 164.071160 131.2
[M+HCOO]- 226.072101 159.0
[M+CH3COO]- 240.087751 181.7
[M+Na-2H]- 202.048566 141.6
[M]+ 181.07335142 142.2
[M]- 181.07444858 142.2
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