CID 77014440

20231-45-2

Structural Information

Molecular Formula
C10H14O2
SMILES
C[C@@]12CC[C@@H](C1(C)C=O)CC2=O
InChI
InChI=1S/C10H14O2/c1-9-4-3-7(5-8(9)12)10(9,2)6-11/h6-7H,3-5H2,1-2H3/t7-,9+,10?/m1/s1
InChIKey
BZFVGPPELIFTQP-IKZKJGMZSA-N
Compound name
(1R,4R)-1,7-dimethyl-2-oxobicyclo[2.2.1]heptane-7-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

166.09938 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.10666 135.1
[M+Na]+ 189.08860 145.0
[M-H]- 165.09210 138.7
[M+NH4]+ 184.13320 165.1
[M+K]+ 205.06254 142.4
[M+H-H2O]+ 149.09664 132.8
[M+HCOO]- 211.09758 156.8
[M+CH3COO]- 225.11323 178.4
[M+Na-2H]- 187.07405 140.4
[M]+ 166.09883 136.1
[M]- 166.09993 136.1
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