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

5
Patents

146.0943 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.10158 123.0
[M+Na]+ 169.08352 127.4
[M-H]- 145.08702 127.4
[M+NH4]+ 164.12812 141.6
[M+K]+ 185.05746 133.1
[M+H-H2O]+ 129.09156 119.1
[M+HCOO]- 191.09250 140.4
[M+CH3COO]- 205.10815 173.1
[M+Na-2H]- 167.06897 131.1
[M]+ 146.09375 119.0
[M]- 146.09485 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