CID 45116563

37676-90-7

Structural Information

Molecular Formula

C₇H₁₀O₂

SMILES

CC1(CC(=C1)C(=O)O)C

InChI

InChI=1S/C7H10O2/c1-7(2)3-5(4-7)6(8)9/h3H,4H2,1-2H3,(H,8,9)

InChIKey

FPDGGJZURPQAMW-UHFFFAOYSA-N

Compound name

3,3-dimethylcyclobutene-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 126.06808 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	127.07536	125.5
[M+Na]+	149.05730	132.1
[M+NH4]+	144.10190	131.0
[M+K]+	165.03124	127.8
[M-H]-	125.06080	123.2
[M+Na-2H]-	147.04275	129.3
[M]+	126.06753	124.6
[M]-	126.06863	124.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe