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]+ 182.08118 137.5
[M+Na]+ 204.06312 148.1
[M-H]- 180.06662 143.7
[M+NH4]+ 199.10772 151.4
[M+K]+ 220.03706 146.0
[M+H-H2O]+ 164.07116 131.2
[M+HCOO]- 226.07210 159.0
[M+CH3COO]- 240.08775 181.7
[M+Na-2H]- 202.04857 141.6
[M]+ 181.07335 142.2
[M]- 181.07445 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