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]+ 171.13796 137.3
[M+Na]+ 193.11990 145.9
[M-H]- 169.12340 146.4
[M+NH4]+ 188.16450 152.7
[M+K]+ 209.09384 148.0
[M+H-H2O]+ 153.12794 131.8
[M+HCOO]- 215.12888 155.6
[M+CH3COO]- 229.14453 183.3
[M+Na-2H]- 191.10535 144.3
[M]+ 170.13013 140.0
[M]- 170.13123 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.