CID 54147235

2-methyl-2-(propan-2-yloxy)propanoic acid

Structural Information

Molecular Formula
C7H14O3
SMILES
CC(C)OC(C)(C)C(=O)O
InChI
InChI=1S/C7H14O3/c1-5(2)10-7(3,4)6(8)9/h5H,1-4H3,(H,8,9)
InChIKey
XXRKUOZMAXFPJR-UHFFFAOYSA-N
Compound name
2-methyl-2-propan-2-yloxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

146.0943 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.10158 130.9
[M+Na]+ 169.08352 137.6
[M-H]- 145.08702 130.1
[M+NH4]+ 164.12812 151.8
[M+K]+ 185.05746 138.4
[M+H-H2O]+ 129.09156 127.2
[M+HCOO]- 191.09250 150.4
[M+CH3COO]- 205.10815 174.6
[M+Na-2H]- 167.06897 135.3
[M]+ 146.09375 132.6
[M]- 146.09485 132.6
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