CID 10214381

1073-00-3

Structural Information

Molecular Formula
C6H8O2
SMILES
C=C1CC1CC(=O)O
InChI
InChI=1S/C6H8O2/c1-4-2-5(4)3-6(7)8/h5H,1-3H2,(H,7,8)
InChIKey
QJBXAEKEXKLLLZ-UHFFFAOYSA-N
Compound name
2-(2-methylidenecyclopropyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

87
Patents

112.05243 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.05971 120.3
[M+Na]+ 135.04165 130.3
[M-H]- 111.04515 124.2
[M+NH4]+ 130.08625 137.7
[M+K]+ 151.01559 127.8
[M+H-H2O]+ 95.049690 115.4
[M+HCOO]- 157.05063 142.8
[M+CH3COO]- 171.06628 170.9
[M+Na-2H]- 133.02710 125.7
[M]+ 112.05188 122.2
[M]- 112.05298 122.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe