CID 53936680

2-cyclopropyl-2-methylpropanoic acid

Structural Information

Molecular Formula
C7H12O2
SMILES
CC(C)(C1CC1)C(=O)O
InChI
InChI=1S/C7H12O2/c1-7(2,6(8)9)5-3-4-5/h5H,3-4H2,1-2H3,(H,8,9)
InChIKey
UNNZYCYDGUQDDK-UHFFFAOYSA-N
Compound name
2-cyclopropyl-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

128.08372 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 125.7
[M+Na]+ 151.07294 134.5
[M-H]- 127.07644 129.3
[M+NH4]+ 146.11754 142.4
[M+K]+ 167.04688 132.9
[M+H-H2O]+ 111.08098 121.0
[M+HCOO]- 173.08192 146.3
[M+CH3COO]- 187.09757 173.9
[M+Na-2H]- 149.05839 131.9
[M]+ 128.08317 127.9
[M]- 128.08427 127.9
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