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

4
Patents

152.08372 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.090996 139.6
[M+Na]+ 175.072938 146.3
[M-H]- 151.076444 145.6
[M+NH4]+ 170.117543 148.5
[M+K]+ 191.046878 144.1
[M+H-H2O]+ 135.080980 134.1
[M+HCOO]- 197.081921 157.9
[M+CH3COO]- 211.097571 187.7
[M+Na-2H]- 173.058386 141.7
[M]+ 152.08317142 141.8
[M]- 152.08426858 141.8
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