CID 28791533

3,3-dicyclopropylprop-2-enoic acid

Structural Information

Molecular Formula
C9H12O2
SMILES
C1CC1C(=CC(=O)O)C2CC2
InChI
InChI=1S/C9H12O2/c10-9(11)5-8(6-1-2-6)7-3-4-7/h5-7H,1-4H2,(H,10,11)
InChIKey
QVWBGJABCTUBOO-UHFFFAOYSA-N
Compound name
3,3-dicyclopropylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

152.08372 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.09100 117.8
[M+Na]+ 175.07294 128.7
[M+NH4]+ 170.11754 125.7
[M+K]+ 191.04688 128.5
[M-H]- 151.07644 130.7
[M+Na-2H]- 173.05839 127.8
[M]+ 152.08317 124.7
[M]- 152.08427 124.7
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