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]+ 171.13796 138.4
[M+Na]+ 193.11990 144.9
[M-H]- 169.12340 142.5
[M+NH4]+ 188.16450 156.5
[M+K]+ 209.09384 147.6
[M+H-H2O]+ 153.12794 131.2
[M+HCOO]- 215.12888 158.8
[M+CH3COO]- 229.14453 185.0
[M+Na-2H]- 191.10535 143.5
[M]+ 170.13013 149.4
[M]- 170.13123 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.