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	124.7
[M+Na]+	149.05730	132.2
[M-H]-	125.06080	127.9
[M+NH4]+	144.10190	142.0
[M+K]+	165.03124	134.4
[M+H-H2O]+	109.06534	116.7
[M+HCOO]-	171.06628	146.1
[M+CH3COO]-	185.08193	173.4
[M+Na-2H]-	147.04275	130.6
[M]+	126.06753	133.8
[M]-	126.06863	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe