CID 12430065

2-(2-methylcyclopropyl)acetic acid

Structural Information

Molecular Formula
C6H10O2
SMILES
CC1CC1CC(=O)O
InChI
InChI=1S/C6H10O2/c1-4-2-5(4)3-6(7)8/h4-5H,2-3H2,1H3,(H,7,8)
InChIKey
MKWZWXDSHKBYAO-UHFFFAOYSA-N
Compound name
2-(2-methylcyclopropyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
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 122.6
[M+Na]+ 137.05730 134.4
[M+NH4]+ 132.10190 131.2
[M+K]+ 153.03124 131.4
[M-H]- 113.06080 129.7
[M+Na-2H]- 135.04275 129.5
[M]+ 114.06753 127.2
[M]- 114.06863 127.2
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