CID 95788684

1903835-66-4

Structural Information

Molecular Formula
C8H12O2
SMILES
C1CC(C1)[C@@H]2C[C@H]2C(=O)O
InChI
InChI=1S/C8H12O2/c9-8(10)7-4-6(7)5-2-1-3-5/h5-7H,1-4H2,(H,9,10)/t6-,7+/m0/s1
InChIKey
OAPKUMLJROYWHA-NKWVEPMBSA-N
Compound name
cis-(1R,2S)-2-cyclobutylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

140.08372 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.090996 124.7
[M+Na]+ 163.072938 131.8
[M-H]- 139.076444 131.0
[M+NH4]+ 158.117543 134.8
[M+K]+ 179.046878 132.7
[M+H-H2O]+ 123.080980 114.5
[M+HCOO]- 185.081921 144.8
[M+CH3COO]- 199.097571 179.3
[M+Na-2H]- 161.058386 129.0
[M]+ 140.08317142 133.4
[M]- 140.08426858 133.4
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