CID 95502

72785-13-8

Structural Information

Molecular Formula
C9H18O3
SMILES
CC(C)C(=O)OCCC(C)OC
InChI
InChI=1S/C9H18O3/c1-7(2)9(10)12-6-5-8(3)11-4/h7-8H,5-6H2,1-4H3
InChIKey
IBGVCUQZCCGGCH-UHFFFAOYSA-N
Compound name
3-methoxybutyl 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

174.1256 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.132876 140.9
[M+Na]+ 197.114818 146.7
[M-H]- 173.118324 141.0
[M+NH4]+ 192.159423 161.3
[M+K]+ 213.088758 147.9
[M+H-H2O]+ 157.122860 136.0
[M+HCOO]- 219.123801 161.8
[M+CH3COO]- 233.139451 183.2
[M+Na-2H]- 195.100266 142.7
[M]+ 174.12505142 145.1
[M]- 174.12614858 145.1
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.