CID 3051660

3-methyl-2-(4-methylphenyl)-1,3-oxazolidine

Structural Information

Molecular Formula
C11H15NO
SMILES
CC1=CC=C(C=C1)C2N(CCO2)C
InChI
InChI=1S/C11H15NO/c1-9-3-5-10(6-4-9)11-12(2)7-8-13-11/h3-6,11H,7-8H2,1-2H3
InChIKey
MTIVTOZQHVJMAK-UHFFFAOYSA-N
Compound name
3-methyl-2-(4-methylphenyl)-1,3-oxazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

177.11537 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 137.9
[M+Na]+ 200.10459 145.8
[M-H]- 176.10809 144.0
[M+NH4]+ 195.14919 157.5
[M+K]+ 216.07853 144.6
[M+H-H2O]+ 160.11263 131.3
[M+HCOO]- 222.11357 159.3
[M+CH3COO]- 236.12922 180.4
[M+Na-2H]- 198.09004 142.5
[M]+ 177.11482 137.2
[M]- 177.11592 137.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe