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
2
Annotation Hits

1
References

605
Patents

113.08406 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 118.9
[M+Na]+ 136.073278 128.4
[M-H]- 112.076784 122.4
[M+NH4]+ 131.117883 143.2
[M+K]+ 152.047218 129.4
[M+H-H2O]+ 96.081320 114.4
[M+HCOO]- 158.082261 141.8
[M+CH3COO]- 172.097911 168.0
[M+Na-2H]- 134.058726 127.0
[M]+ 113.08351142 120.2
[M]- 113.08460858 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