CID 75525024

(4s)-2-(3,3-dimethyloxiran-2-yl)-4-methyloxane

Structural Information

Molecular Formula
C10H18O2
SMILES
C[C@H]1CCOC(C1)C2C(O2)(C)C
InChI
InChI=1S/C10H18O2/c1-7-4-5-11-8(6-7)9-10(2,3)12-9/h7-9H,4-6H2,1-3H3/t7-,8?,9?/m0/s1
InChIKey
WJXPSIYAXOVSRJ-UEJVZZJDSA-N
Compound name
(4S)-2-(3,3-dimethyloxiran-2-yl)-4-methyloxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.13068 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.137956 137.3
[M+Na]+ 193.119898 145.9
[M-H]- 169.123404 146.4
[M+NH4]+ 188.164503 152.7
[M+K]+ 209.093838 148.0
[M+H-H2O]+ 153.127940 131.8
[M+HCOO]- 215.128881 155.6
[M+CH3COO]- 229.144531 183.3
[M+Na-2H]- 191.105346 144.3
[M]+ 170.13013142 140.0
[M]- 170.13122858 140.0
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.