CID 12757488

32936-76-8

Structural Information

Molecular Formula
C6H10O2
SMILES
CC1(CCC1)C(=O)O
InChI
InChI=1S/C6H10O2/c1-6(5(7)8)3-2-4-6/h2-4H2,1H3,(H,7,8)
InChIKey
GCZGQVRHZLOCDD-UHFFFAOYSA-N
Compound name
1-methylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

755
Patents

114.06808 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.07536 122.5
[M+Na]+ 137.05730 128.4
[M-H]- 113.06080 125.1
[M+NH4]+ 132.10190 139.8
[M+K]+ 153.03124 131.1
[M+H-H2O]+ 97.065340 114.3
[M+HCOO]- 159.06628 142.7
[M+CH3COO]- 173.08193 169.7
[M+Na-2H]- 135.04275 128.6
[M]+ 114.06753 129.4
[M]- 114.06863 129.4
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