CID 2760949

3-(tert-butoxy)propionic acid

Structural Information

Molecular Formula
C7H14O3
SMILES
CC(C)(C)OCCC(=O)O
InChI
InChI=1S/C7H14O3/c1-7(2,3)10-5-4-6(8)9/h4-5H2,1-3H3,(H,8,9)
InChIKey
KXZYUJNAHMNZBA-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
Patents

146.0943 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.101576 131.6
[M+Na]+ 169.083518 138.6
[M-H]- 145.087024 130.7
[M+NH4]+ 164.128123 152.6
[M+K]+ 185.057458 138.8
[M+H-H2O]+ 129.091560 127.8
[M+HCOO]- 191.092501 152.0
[M+CH3COO]- 205.108151 173.0
[M+Na-2H]- 167.068966 137.2
[M]+ 146.09375142 133.8
[M]- 146.09484858 133.8
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