CID 34714

2,5,5-trimethyltetrahydro-3-furanol

Structural Information

Molecular Formula
C7H14O2
SMILES
CC1C(CC(O1)(C)C)O
InChI
InChI=1S/C7H14O2/c1-5-6(8)4-7(2,3)9-5/h5-6,8H,4H2,1-3H3
InChIKey
LQNXAZISXNVYTF-UHFFFAOYSA-N
Compound name
2,5,5-trimethyloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

130.09938 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.10666 124.7
[M+Na]+ 153.08860 133.2
[M-H]- 129.09210 128.1
[M+NH4]+ 148.13320 149.1
[M+K]+ 169.06254 133.5
[M+H-H2O]+ 113.09664 121.7
[M+HCOO]- 175.09758 145.7
[M+CH3COO]- 189.11323 169.3
[M+Na-2H]- 151.07405 130.4
[M]+ 130.09883 124.4
[M]- 130.09993 124.4
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