CID 98296

2h-pyran, tetrahydro-2-isobutoxy-

Structural Information

Molecular Formula
C9H18O2
SMILES
CC(C)COC1CCCCO1
InChI
InChI=1S/C9H18O2/c1-8(2)7-11-9-5-3-4-6-10-9/h8-9H,3-7H2,1-2H3
InChIKey
ZDFZISUAJPDZKM-UHFFFAOYSA-N
Compound name
2-(2-methylpropoxy)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

158.13068 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.13796 136.5
[M+Na]+ 181.11990 140.5
[M-H]- 157.12340 139.6
[M+NH4]+ 176.16450 155.8
[M+K]+ 197.09384 141.8
[M+H-H2O]+ 141.12794 130.8
[M+HCOO]- 203.12888 155.2
[M+CH3COO]- 217.14453 177.3
[M+Na-2H]- 179.10535 141.4
[M]+ 158.13013 134.9
[M]- 158.13123 134.9
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

patents stripe