CID 137964078

2490400-65-0

Structural Information

Molecular Formula
C10H14O3
SMILES
CC12CC(C1)(C3(O2)CCC3)C(=O)O
InChI
InChI=1S/C10H14O3/c1-8-5-9(6-8,7(11)12)10(13-8)3-2-4-10/h2-6H2,1H3,(H,11,12)
InChIKey
FZTOFJPDGBUGHQ-UHFFFAOYSA-N
Compound name
1-methylspiro[2-oxabicyclo[2.1.1]hexane-3,1'-cyclobutane]-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.0943 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 148.4
[M+Na]+ 205.08352 153.0
[M-H]- 181.08702 152.6
[M+NH4]+ 200.12812 164.7
[M+K]+ 221.05746 156.2
[M+H-H2O]+ 165.09156 140.9
[M+HCOO]- 227.09250 161.2
[M+CH3COO]- 241.10815 192.0
[M+Na-2H]- 203.06897 155.3
[M]+ 182.09375 168.0
[M]- 182.09485 168.0
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.