CID 82418244

2-(1-cyclopropylcyclopropyl)acetic acid

Structural Information

Molecular Formula
C8H12O2
SMILES
C1CC1C2(CC2)CC(=O)O
InChI
InChI=1S/C8H12O2/c9-7(10)5-8(3-4-8)6-1-2-6/h6H,1-5H2,(H,9,10)
InChIKey
FTUJHABUXCRDIF-UHFFFAOYSA-N
Compound name
2-(1-cyclopropylcyclopropyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
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 139.5
[M+Na]+ 163.072938 146.8
[M-H]- 139.076444 145.8
[M+NH4]+ 158.117543 150.4
[M+K]+ 179.046878 146.5
[M+H-H2O]+ 123.080980 135.2
[M+HCOO]- 185.081921 157.9
[M+CH3COO]- 199.097571 185.4
[M+Na-2H]- 161.058386 143.6
[M]+ 140.08317142 142.9
[M]- 140.08426858 142.9
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