CID 150877

2-cyclopropylprop-2-enoic acid

Structural Information

Molecular Formula
C6H8O2
SMILES
C=C(C1CC1)C(=O)O
InChI
InChI=1S/C6H8O2/c1-4(6(7)8)5-2-3-5/h5H,1-3H2,(H,7,8)
InChIKey
QDJSZVRLBGARTP-UHFFFAOYSA-N
Compound name
2-cyclopropylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13517
Patents

112.05243 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.05971 123.3
[M+Na]+ 135.04165 134.4
[M+NH4]+ 130.08625 131.5
[M+K]+ 151.01559 131.8
[M-H]- 111.04515 129.9
[M+Na-2H]- 133.02710 129.8
[M]+ 112.05188 127.5
[M]- 112.05298 127.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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