CID 3086419

3-methylbicyclo(3.2.1)octane-3-carboxamide

Structural Information

Molecular Formula
C10H17NO
SMILES
CC1(CC2CCC(C2)C1)C(=O)N
InChI
InChI=1S/C10H17NO/c1-10(9(11)12)5-7-2-3-8(4-7)6-10/h7-8H,2-6H2,1H3,(H2,11,12)
InChIKey
CLUZEQJDEXSBNY-UHFFFAOYSA-N
Compound name
3-methylbicyclo[3.2.1]octane-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

167.13101 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.13829 138.5
[M+Na]+ 190.12023 144.2
[M-H]- 166.12373 140.4
[M+NH4]+ 185.16483 163.8
[M+K]+ 206.09417 142.0
[M+H-H2O]+ 150.12827 134.2
[M+HCOO]- 212.12921 157.0
[M+CH3COO]- 226.14486 181.2
[M+Na-2H]- 188.10568 142.4
[M]+ 167.13046 133.4
[M]- 167.13156 133.4
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