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
(1R,2S)-2-propan-2-ylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

128.08372 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 124.9
[M+Na]+ 151.07294 134.1
[M-H]- 127.07644 128.7
[M+NH4]+ 146.11754 141.8
[M+K]+ 167.04688 132.3
[M+H-H2O]+ 111.08098 119.9
[M+HCOO]- 173.08192 146.1
[M+CH3COO]- 187.09757 175.5
[M+Na-2H]- 149.05839 128.8
[M]+ 128.08317 127.3
[M]- 128.08427 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