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]+ 154.122646 133.3
[M+Na]+ 176.104588 141.4
[M-H]- 152.108094 134.8
[M+NH4]+ 171.149193 157.1
[M+K]+ 192.078528 139.4
[M+H-H2O]+ 136.112630 128.3
[M+HCOO]- 198.113571 151.5
[M+CH3COO]- 212.129221 178.6
[M+Na-2H]- 174.090036 137.0
[M]+ 153.11482142 131.2
[M]- 153.11591858 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