CID 16663748

3-tert-butylbicyclo[1.1.1]pentane-1-carbaldehyde

Structural Information

Molecular Formula
C10H16O
SMILES
CC(C)(C)C12CC(C1)(C2)C=O
InChI
InChI=1S/C10H16O/c1-8(2,3)10-4-9(5-10,6-10)7-11/h7H,4-6H2,1-3H3
InChIKey
PYQCGQHFAGNIQX-UHFFFAOYSA-N
Compound name
3-tert-butylbicyclo[1.1.1]pentane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.12012 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.127396 153.5
[M+Na]+ 175.109338 158.1
[M-H]- 151.112844 157.2
[M+NH4]+ 170.153943 161.0
[M+K]+ 191.083278 163.2
[M+H-H2O]+ 135.117380 142.2
[M+HCOO]- 197.118321 165.7
[M+CH3COO]- 211.133971 206.8
[M+Na-2H]- 173.094786 160.7
[M]+ 152.11957142 178.9
[M]- 152.12066858 178.9
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.