CID 57470141

1-(oxolan-2-yl)propan-2-ol

Structural Information

Molecular Formula
C7H14O2
SMILES
CC(CC1CCCO1)O
InChI
InChI=1S/C7H14O2/c1-6(8)5-7-3-2-4-9-7/h6-8H,2-5H2,1H3
InChIKey
CAHGFMDHALWJAS-UHFFFAOYSA-N
Compound name
1-(oxolan-2-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

130.09938 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.10666 128.8
[M+Na]+ 153.08860 134.2
[M-H]- 129.09210 131.1
[M+NH4]+ 148.13320 150.4
[M+K]+ 169.06254 134.8
[M+H-H2O]+ 113.09664 124.1
[M+HCOO]- 175.09758 148.7
[M+CH3COO]- 189.11323 168.3
[M+Na-2H]- 151.07405 133.0
[M]+ 130.09883 126.7
[M]- 130.09993 126.7
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