CID 13637454

2-hydroxyethyl 3-methylbutanoate

Structural Information

Molecular Formula
C7H14O3
SMILES
CC(C)CC(=O)OCCO
InChI
InChI=1S/C7H14O3/c1-6(2)5-7(9)10-4-3-8/h6,8H,3-5H2,1-2H3
InChIKey
ACMFZBFCYUCGEB-UHFFFAOYSA-N
Compound name
2-hydroxyethyl 3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

146.0943 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.101576 132.4
[M+Na]+ 169.083518 138.7
[M-H]- 145.087024 131.3
[M+NH4]+ 164.128123 153.2
[M+K]+ 185.057458 139.1
[M+H-H2O]+ 129.091560 127.9
[M+HCOO]- 191.092501 153.4
[M+CH3COO]- 205.108151 173.6
[M+Na-2H]- 167.068966 136.0
[M]+ 146.09375142 134.5
[M]- 146.09484858 134.5
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

patents stripe