CID 130127735

(2,2-dimethyl-2,5-dihydrothiophen-3-yl)methanol

Structural Information

Molecular Formula
C7H12OS
SMILES
CC1(C(=CCS1)CO)C
InChI
InChI=1S/C7H12OS/c1-7(2)6(5-8)3-4-9-7/h3,8H,4-5H2,1-2H3
InChIKey
BWFAJKNIKOXECO-UHFFFAOYSA-N
Compound name
(5,5-dimethyl-2H-thiophen-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.06088 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.06816 128.2
[M+Na]+ 167.05010 137.0
[M-H]- 143.05360 131.1
[M+NH4]+ 162.09470 153.7
[M+K]+ 183.02404 135.0
[M+H-H2O]+ 127.05814 124.7
[M+HCOO]- 189.05908 146.1
[M+CH3COO]- 203.07473 169.7
[M+Na-2H]- 165.03555 131.0
[M]+ 144.06033 129.3
[M]- 144.06143 129.3
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

No patent data available for this compound.