CID 123559

Pinacol monoformate

Structural Information

Molecular Formula

C₇H₁₄O₃

SMILES

CC(C)(C(C)(C)OC=O)O

InChI

InChI=1S/C7H14O3/c1-6(2,9)7(3,4)10-5-8/h5,9H,1-4H3

InChIKey

OBODCWUESPNUOV-UHFFFAOYSA-N

Compound name

(3-hydroxy-2,3-dimethylbutan-2-yl) formate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 146.0943 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	147.101576	130.7
[M+Na]+	169.083518	138.3
[M-H]-	145.087024	130.1
[M+NH4]+	164.128123	151.8
[M+K]+	185.057458	138.5
[M+H-H2O]+	129.091560	127.5
[M+HCOO]-	191.092501	150.5
[M+CH3COO]-	205.108151	173.3
[M+Na-2H]-	167.068966	138.5
[M]+	146.09375142	133.2
[M]-	146.09484858	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe