CID 115013721

2-(hydroxymethyl)spiro[3.3]heptane-2-carboxylic acid

Structural Information

Molecular Formula
C9H14O3
SMILES
C1CC2(C1)CC(C2)(CO)C(=O)O
InChI
InChI=1S/C9H14O3/c10-6-9(7(11)12)4-8(5-9)2-1-3-8/h10H,1-6H2,(H,11,12)
InChIKey
UGUVKYHLIXHRDX-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)spiro[3.3]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.0943 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.101576 135.6
[M+Na]+ 193.083518 139.3
[M-H]- 169.087024 138.8
[M+NH4]+ 188.128123 144.9
[M+K]+ 209.057458 143.1
[M+H-H2O]+ 153.091560 124.4
[M+HCOO]- 215.092501 150.8
[M+CH3COO]- 229.108151 186.3
[M+Na-2H]- 191.068966 140.5
[M]+ 170.09375142 149.4
[M]- 170.09484858 149.4
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

No patent data available for this compound.