CID 130690345

3,3-dimethyl-1-(propan-2-yloxy)cyclobutane-1-carbaldehyde

Structural Information

Molecular Formula
C10H18O2
SMILES
CC(C)OC1(CC(C1)(C)C)C=O
InChI
InChI=1S/C10H18O2/c1-8(2)12-10(7-11)5-9(3,4)6-10/h7-8H,5-6H2,1-4H3
InChIKey
SIGXCOBCWHJBBN-UHFFFAOYSA-N
Compound name
3,3-dimethyl-1-propan-2-yloxycyclobutane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.13068 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.137956 138.4
[M+Na]+ 193.119898 144.9
[M-H]- 169.123404 142.5
[M+NH4]+ 188.164503 156.5
[M+K]+ 209.093838 147.6
[M+H-H2O]+ 153.127940 131.2
[M+HCOO]- 215.128881 158.8
[M+CH3COO]- 229.144531 185.0
[M+Na-2H]- 191.105346 143.5
[M]+ 170.13013142 149.4
[M]- 170.13122858 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.