CID 59617928

1355058-91-1

Structural Information

Molecular Formula
C7H12O2
SMILES
CC(C)[C@@H]1C[C@H]1C(=O)O
InChI
InChI=1S/C7H12O2/c1-4(2)5-3-6(5)7(8)9/h4-6H,3H2,1-2H3,(H,8,9)/t5-,6+/m0/s1
InChIKey
HBYCKISMJZSUDJ-NTSWFWBYSA-N
Compound name
trans-(1R,2S)-2-propan-2-ylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

128.08372 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.090996 124.9
[M+Na]+ 151.072938 134.1
[M-H]- 127.076444 128.7
[M+NH4]+ 146.117543 141.8
[M+K]+ 167.046878 132.3
[M+H-H2O]+ 111.080980 119.9
[M+HCOO]- 173.081921 146.1
[M+CH3COO]- 187.097571 175.5
[M+Na-2H]- 149.058386 128.8
[M]+ 128.08317142 127.3
[M]- 128.08426858 127.3
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