CID 12470455

Adamantane-2-carbaldehyde

Structural Information

Molecular Formula
C11H16O
SMILES
C1C2CC3CC1CC(C2)C3C=O
InChI
InChI=1S/C11H16O/c12-6-11-9-2-7-1-8(4-9)5-10(11)3-7/h6-11H,1-5H2
InChIKey
VGBBJZYOAOCLLS-UHFFFAOYSA-N
Compound name
adamantane-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

390
Patents

164.12012 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.127396 135.6
[M+Na]+ 187.109338 138.4
[M-H]- 163.112844 131.5
[M+NH4]+ 182.153943 161.4
[M+K]+ 203.083278 135.6
[M+H-H2O]+ 147.117380 130.5
[M+HCOO]- 209.118321 143.9
[M+CH3COO]- 223.133971 145.5
[M+Na-2H]- 185.094786 146.2
[M]+ 164.11957142 135.4
[M]- 164.12066858 135.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe