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

16
Patents

154.13577 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.143046 134.0
[M+Na]+ 177.124988 139.8
[M-H]- 153.128494 137.6
[M+NH4]+ 172.169593 149.2
[M+K]+ 193.098928 141.8
[M+H-H2O]+ 137.133030 124.9
[M+HCOO]- 199.133971 153.8
[M+CH3COO]- 213.149621 182.6
[M+Na-2H]- 175.110436 138.9
[M]+ 154.13522142 143.1
[M]- 154.13631858 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