CID 74496

2,4,4-trimethyl-2-oxazoline

Structural Information

Molecular Formula
C6H11NO
SMILES
CC1=NC(CO1)(C)C
InChI
InChI=1S/C6H11NO/c1-5-7-6(2,3)4-8-5/h4H2,1-3H3
InChIKey
HZRZMHNRCSIQFT-UHFFFAOYSA-N
Compound name
2,4,4-trimethyl-5H-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

584
Patents

113.08406 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 118.9
[M+Na]+ 136.07328 128.4
[M-H]- 112.07678 122.4
[M+NH4]+ 131.11788 143.2
[M+K]+ 152.04722 129.4
[M+H-H2O]+ 96.081320 114.4
[M+HCOO]- 158.08226 141.8
[M+CH3COO]- 172.09791 168.0
[M+Na-2H]- 134.05873 127.0
[M]+ 113.08351 120.2
[M]- 113.08461 120.2
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