CID 40495

1,1,1-trimethoxy-2-methylpropane

Structural Information

Molecular Formula
C7H16O3
SMILES
CC(C)C(OC)(OC)OC
InChI
InChI=1S/C7H16O3/c1-6(2)7(8-3,9-4)10-5/h6H,1-5H3
InChIKey
BGLARIMANCDMQX-UHFFFAOYSA-N
Compound name
1,1,1-trimethoxy-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

290
Patents

148.10994 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.11722 132.1
[M+Na]+ 171.09916 139.1
[M-H]- 147.10266 132.6
[M+NH4]+ 166.14376 153.8
[M+K]+ 187.07310 141.0
[M+H-H2O]+ 131.10720 128.0
[M+HCOO]- 193.10814 153.8
[M+CH3COO]- 207.12379 177.4
[M+Na-2H]- 169.08461 138.2
[M]+ 148.10939 137.1
[M]- 148.11049 137.1
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