CID 3051665

67625-16-5

Structural Information

Molecular Formula
C12H17NO
SMILES
CC1=CC(=C(C=C1)C2N(CCO2)C)C
InChI
InChI=1S/C12H17NO/c1-9-4-5-11(10(2)8-9)12-13(3)6-7-14-12/h4-5,8,12H,6-7H2,1-3H3
InChIKey
JQRNYPGAEDLVHS-UHFFFAOYSA-N
Compound name
2-(2,4-dimethylphenyl)-3-methyl-1,3-oxazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.13101 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 142.3
[M+Na]+ 214.12023 150.7
[M-H]- 190.12373 148.6
[M+NH4]+ 209.16483 161.6
[M+K]+ 230.09417 149.3
[M+H-H2O]+ 174.12827 135.8
[M+HCOO]- 236.12921 163.3
[M+CH3COO]- 250.14486 184.6
[M+Na-2H]- 212.10568 145.7
[M]+ 191.13046 142.4
[M]- 191.13156 142.4
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.