CID 6452243

3,3-dimethylbicyclo[2.2.1]heptane-2-carbaldehyde

Structural Information

Molecular Formula
C10H16O
SMILES
CC1(C2CCC(C2)C1C=O)C
InChI
InChI=1S/C10H16O/c1-10(2)8-4-3-7(5-8)9(10)6-11/h6-9H,3-5H2,1-2H3
InChIKey
VMKZLKWCFOWLCT-UHFFFAOYSA-N
Compound name
3,3-dimethylbicyclo[2.2.1]heptane-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

152.12012 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.127396 134.9
[M+Na]+ 175.109338 143.6
[M-H]- 151.112844 138.2
[M+NH4]+ 170.153943 163.6
[M+K]+ 191.083278 141.3
[M+H-H2O]+ 135.117380 131.9
[M+HCOO]- 197.118321 156.3
[M+CH3COO]- 211.133971 177.6
[M+Na-2H]- 173.094786 138.7
[M]+ 152.11957142 134.8
[M]- 152.12066858 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

patents stripe