CID 20614517

286442-86-2

Structural Information

Molecular Formula
C7H10O2
SMILES
CC1(CC(=C)C1)C(=O)O
InChI
InChI=1S/C7H10O2/c1-5-3-7(2,4-5)6(8)9/h1,3-4H2,2H3,(H,8,9)
InChIKey
IDHHSXMRNXRQSW-UHFFFAOYSA-N
Compound name
1-methyl-3-methylidenecyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

126.06808 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 125.1
[M+Na]+ 149.05730 131.8
[M-H]- 125.06080 127.9
[M+NH4]+ 144.10190 142.1
[M+K]+ 165.03124 133.6
[M+H-H2O]+ 109.06534 117.2
[M+HCOO]- 171.06628 145.2
[M+CH3COO]- 185.08193 172.9
[M+Na-2H]- 147.04275 130.1
[M]+ 126.06753 132.1
[M]- 126.06863 132.1
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