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

3
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 139.6
[M+Na]+ 175.07294 146.3
[M-H]- 151.07644 145.6
[M+NH4]+ 170.11754 148.5
[M+K]+ 191.04688 144.1
[M+H-H2O]+ 135.08098 134.1
[M+HCOO]- 197.08192 157.9
[M+CH3COO]- 211.09757 187.7
[M+Na-2H]- 173.05839 141.7
[M]+ 152.08317 141.8
[M]- 152.08427 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