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

0
Patents

167.13101 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.138286 138.5
[M+Na]+ 190.120228 144.2
[M-H]- 166.123734 140.4
[M+NH4]+ 185.164833 163.8
[M+K]+ 206.094168 142.0
[M+H-H2O]+ 150.128270 134.2
[M+HCOO]- 212.129211 157.0
[M+CH3COO]- 226.144861 181.2
[M+Na-2H]- 188.105676 142.4
[M]+ 167.13046142 133.4
[M]- 167.13155858 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