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]+ 192.138286 142.3
[M+Na]+ 214.120228 150.7
[M-H]- 190.123734 148.6
[M+NH4]+ 209.164833 161.6
[M+K]+ 230.094168 149.3
[M+H-H2O]+ 174.128270 135.8
[M+HCOO]- 236.129211 163.3
[M+CH3COO]- 250.144861 184.6
[M+Na-2H]- 212.105676 145.7
[M]+ 191.13046142 142.4
[M]- 191.13155858 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.