CID 62118

3-methoxy-3-methylbutan-1-ol

Structural Information

Molecular Formula
C6H14O2
SMILES
CC(C)(CCO)OC
InChI
InChI=1S/C6H14O2/c1-6(2,8-3)4-5-7/h7H,4-5H2,1-3H3
InChIKey
MFKRHJVUCZRDTF-UHFFFAOYSA-N
Compound name
3-methoxy-3-methylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

40509
Patents

118.09938 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.10666 125.5
[M+Na]+ 141.08860 132.8
[M-H]- 117.09210 124.7
[M+NH4]+ 136.13320 147.7
[M+K]+ 157.06254 133.0
[M+H-H2O]+ 101.09664 121.9
[M+HCOO]- 163.09758 146.8
[M+CH3COO]- 177.11323 168.8
[M+Na-2H]- 139.07405 132.8
[M]+ 118.09883 127.3
[M]- 118.09993 127.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe