CID 95486

2,2,5-trimethyloxazolidine

Structural Information

Molecular Formula
C6H13NO
SMILES
CC1CNC(O1)(C)C
InChI
InChI=1S/C6H13NO/c1-5-4-7-6(2,3)8-5/h5,7H,4H2,1-3H3
InChIKey
XMPCGZCCOXWBKR-UHFFFAOYSA-N
Compound name
2,2,5-trimethyl-1,3-oxazolidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

56
Patents

115.09972 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 122.4
[M+Na]+ 138.08894 130.4
[M-H]- 114.09244 124.0
[M+NH4]+ 133.13354 145.7
[M+K]+ 154.06288 130.6
[M+H-H2O]+ 98.096980 118.1
[M+HCOO]- 160.09792 142.3
[M+CH3COO]- 174.11357 165.7
[M+Na-2H]- 136.07439 128.9
[M]+ 115.09917 120.3
[M]- 115.10027 120.3
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