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]+ 171.10158 135.6
[M+Na]+ 193.08352 139.3
[M-H]- 169.08702 138.8
[M+NH4]+ 188.12812 144.9
[M+K]+ 209.05746 143.1
[M+H-H2O]+ 153.09156 124.4
[M+HCOO]- 215.09250 150.8
[M+CH3COO]- 229.10815 186.3
[M+Na-2H]- 191.06897 140.5
[M]+ 170.09375 149.4
[M]- 170.09485 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.