CID 42682

10-dimethylamino-2-bornanone

Structural Information

Molecular Formula
C12H21NO
SMILES
CC1(C2CCC1(C(=O)C2)CN(C)C)C
InChI
InChI=1S/C12H21NO/c1-11(2)9-5-6-12(11,8-13(3)4)10(14)7-9/h9H,5-8H2,1-4H3
InChIKey
FAIBLLHIVFOTHG-UHFFFAOYSA-N
Compound name
1-[(dimethylamino)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.16231 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.169586 145.2
[M+Na]+ 218.151528 153.1
[M-H]- 194.155034 149.6
[M+NH4]+ 213.196133 174.4
[M+K]+ 234.125468 151.6
[M+H-H2O]+ 178.159570 142.0
[M+HCOO]- 240.160511 167.3
[M+CH3COO]- 254.176161 191.5
[M+Na-2H]- 216.136976 149.0
[M]+ 195.16176142 146.5
[M]- 195.16285858 146.5
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.