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]+ 196.16959 145.2
[M+Na]+ 218.15153 153.1
[M-H]- 194.15503 149.6
[M+NH4]+ 213.19613 174.4
[M+K]+ 234.12547 151.6
[M+H-H2O]+ 178.15957 142.0
[M+HCOO]- 240.16051 167.3
[M+CH3COO]- 254.17616 191.5
[M+Na-2H]- 216.13698 149.0
[M]+ 195.16176 146.5
[M]- 195.16286 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.