CID 86675041

3-(2,2-dimethylpropyl)cyclobutane-1-carbaldehyde

Structural Information

Molecular Formula
C10H18O
SMILES
CC(C)(C)CC1CC(C1)C=O
InChI
InChI=1S/C10H18O/c1-10(2,3)6-8-4-9(5-8)7-11/h7-9H,4-6H2,1-3H3
InChIKey
IXXCSDOJDCPNAH-UHFFFAOYSA-N
Compound name
3-(2,2-dimethylpropyl)cyclobutane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

154.13577 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.14305 134.0
[M+Na]+ 177.12499 139.8
[M-H]- 153.12849 137.6
[M+NH4]+ 172.16959 149.2
[M+K]+ 193.09893 141.8
[M+H-H2O]+ 137.13303 124.9
[M+HCOO]- 199.13397 153.8
[M+CH3COO]- 213.14962 182.6
[M+Na-2H]- 175.11044 138.9
[M]+ 154.13522 143.1
[M]- 154.13632 143.1
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

patents stripe