CID 22112710

2-(2-methylpropoxy)propanoic acid

Structural Information

Molecular Formula
C7H14O3
SMILES
CC(C)COC(C)C(=O)O
InChI
InChI=1S/C7H14O3/c1-5(2)4-10-6(3)7(8)9/h5-6H,4H2,1-3H3,(H,8,9)
InChIKey
LHFQXDKXNOGPNP-UHFFFAOYSA-N
Compound name
2-(2-methylpropoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

146.0943 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.10158 132.2
[M+Na]+ 169.08352 138.2
[M-H]- 145.08702 131.2
[M+NH4]+ 164.12812 152.9
[M+K]+ 185.05746 139.0
[M+H-H2O]+ 129.09156 127.8
[M+HCOO]- 191.09250 152.2
[M+CH3COO]- 205.10815 175.2
[M+Na-2H]- 167.06897 134.5
[M]+ 146.09375 133.7
[M]- 146.09485 133.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe