CID 11263536

1-cyclopropyl-3,3-dimethylbutan-1-one

Structural Information

Molecular Formula
C9H16O
SMILES
CC(C)(C)CC(=O)C1CC1
InChI
InChI=1S/C9H16O/c1-9(2,3)6-8(10)7-4-5-7/h7H,4-6H2,1-3H3
InChIKey
GWKJLMYWFKWKSR-UHFFFAOYSA-N
Compound name
1-cyclopropyl-3,3-dimethylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

140.12012 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.12740 131.3
[M+Na]+ 163.10934 139.8
[M-H]- 139.11284 136.1
[M+NH4]+ 158.15394 148.5
[M+K]+ 179.08328 138.4
[M+H-H2O]+ 123.11738 126.2
[M+HCOO]- 185.11832 152.6
[M+CH3COO]- 199.13397 179.7
[M+Na-2H]- 161.09479 137.0
[M]+ 140.11957 134.5
[M]- 140.12067 134.5
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