CID 81415085

1518211-59-0

Structural Information

Molecular Formula
C11H13NO
SMILES
CC1(C(CC1=O)C2=CN=CC=C2)C
InChI
InChI=1S/C11H13NO/c1-11(2)9(6-10(11)13)8-4-3-5-12-7-8/h3-5,7,9H,6H2,1-2H3
InChIKey
SAQKSTYREJQRTL-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3-pyridin-3-ylcyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.09972 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.10700 134.8
[M+Na]+ 198.08894 143.1
[M-H]- 174.09244 140.7
[M+NH4]+ 193.13354 149.7
[M+K]+ 214.06288 143.7
[M+H-H2O]+ 158.09698 124.1
[M+HCOO]- 220.09792 156.3
[M+CH3COO]- 234.11357 184.4
[M+Na-2H]- 196.07439 141.5
[M]+ 175.09917 143.6
[M]- 175.10027 143.6
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.