CID 4642003

Spiro[2.3]hexane-1-carboxylic acid

Structural Information

Molecular Formula
C7H10O2
SMILES
C1CC2(C1)CC2C(=O)O
InChI
InChI=1S/C7H10O2/c8-6(9)5-4-7(5)2-1-3-7/h5H,1-4H2,(H,8,9)
InChIKey
VVSCGNLRDCLHAN-UHFFFAOYSA-N
Compound name
spiro[2.3]hexane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

126.06808 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 128.1
[M+Na]+ 149.05730 135.4
[M+NH4]+ 144.10190 134.7
[M+K]+ 165.03124 132.4
[M-H]- 125.06080 133.4
[M+Na-2H]- 147.04275 134.2
[M]+ 126.06753 130.6
[M]- 126.06863 130.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe