CID 15176638

2,2-dimethyl-1,3-dioxepan-5-ol

Structural Information

Molecular Formula
C7H14O3
SMILES
CC1(OCCC(CO1)O)C
InChI
InChI=1S/C7H14O3/c1-7(2)9-4-3-6(8)5-10-7/h6,8H,3-5H2,1-2H3
InChIKey
DGBCMXNLXXITDO-UHFFFAOYSA-N
Compound name
2,2-dimethyl-1,3-dioxepan-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

146.0943 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.101576 123.0
[M+Na]+ 169.083518 127.4
[M-H]- 145.087024 127.4
[M+NH4]+ 164.128123 141.6
[M+K]+ 185.057458 133.1
[M+H-H2O]+ 129.091560 119.1
[M+HCOO]- 191.092501 140.4
[M+CH3COO]- 205.108151 173.1
[M+Na-2H]- 167.068966 131.1
[M]+ 146.09375142 119.0
[M]- 146.09484858 119.0
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

patents stripe