CID 14010255

2-(2,2,3,3-tetramethylcyclopropyl)acetaldehyde

Structural Information

Molecular Formula
C9H16O
SMILES
CC1(C(C1(C)C)CC=O)C
InChI
InChI=1S/C9H16O/c1-8(2)7(5-6-10)9(8,3)4/h6-7H,5H2,1-4H3
InChIKey
WWIGWWRNURLVQY-UHFFFAOYSA-N
Compound name
2-(2,2,3,3-tetramethylcyclopropyl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.12012 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.127396 128.8
[M+Na]+ 163.109338 140.2
[M-H]- 139.112844 134.7
[M+NH4]+ 158.153943 150.2
[M+K]+ 179.083278 139.7
[M+H-H2O]+ 123.117380 126.2
[M+HCOO]- 185.118321 151.6
[M+CH3COO]- 199.133971 180.9
[M+Na-2H]- 161.094786 136.1
[M]+ 140.11957142 134.8
[M]- 140.12066858 134.8
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.