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
2
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]+ 175.13288 140.9
[M+Na]+ 197.11482 146.7
[M-H]- 173.11832 141.0
[M+NH4]+ 192.15942 161.3
[M+K]+ 213.08876 147.9
[M+H-H2O]+ 157.12286 136.0
[M+HCOO]- 219.12380 161.8
[M+CH3COO]- 233.13945 183.2
[M+Na-2H]- 195.10027 142.7
[M]+ 174.12505 145.1
[M]- 174.12615 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.