CID 54521676

2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-one

Structural Information

Molecular Formula
C9H15NO
SMILES
CC1C2CCC(N2C)CC1=O
InChI
InChI=1S/C9H15NO/c1-6-8-4-3-7(10(8)2)5-9(6)11/h6-8H,3-5H2,1-2H3
InChIKey
YQGGMUJPXGWROQ-UHFFFAOYSA-N
Compound name
2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

153.11537 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.12265 133.3
[M+Na]+ 176.10459 141.4
[M-H]- 152.10809 134.8
[M+NH4]+ 171.14919 157.1
[M+K]+ 192.07853 139.4
[M+H-H2O]+ 136.11263 128.3
[M+HCOO]- 198.11357 151.5
[M+CH3COO]- 212.12922 178.6
[M+Na-2H]- 174.09004 137.0
[M]+ 153.11482 131.2
[M]- 153.11592 131.2
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