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 140.2
[M+Na]+ 204.06312 152.5
[M+NH4]+ 199.10772 147.8
[M+K]+ 220.03706 151.5
[M-H]- 180.06662 149.1
[M+Na-2H]- 202.04857 146.9
[M]+ 181.07335 145.3
[M]- 181.07445 145.3
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