CID 20713

2-tert-butylcyclobutan-1-one

Structural Information

Molecular Formula
C8H14O
SMILES
CC(C)(C)C1CCC1=O
InChI
InChI=1S/C8H14O/c1-8(2,3)6-4-5-7(6)9/h6H,4-5H2,1-3H3
InChIKey
RBVZGIAAMVLZAZ-UHFFFAOYSA-N
Compound name
2-tert-butylcyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

126.10446 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.11174 124.4
[M+Na]+ 149.09368 131.1
[M-H]- 125.09718 128.4
[M+NH4]+ 144.13828 140.8
[M+K]+ 165.06762 133.5
[M+H-H2O]+ 109.10172 115.8
[M+HCOO]- 171.10266 144.9
[M+CH3COO]- 185.11831 176.7
[M+Na-2H]- 147.07913 130.5
[M]+ 126.10391 132.9
[M]- 126.10501 132.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe