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]+ 153.12740 153.5
[M+Na]+ 175.10934 158.1
[M-H]- 151.11284 157.2
[M+NH4]+ 170.15394 161.0
[M+K]+ 191.08328 163.2
[M+H-H2O]+ 135.11738 142.2
[M+HCOO]- 197.11832 165.7
[M+CH3COO]- 211.13397 206.8
[M+Na-2H]- 173.09479 160.7
[M]+ 152.11957 178.9
[M]- 152.12067 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.