CID 13370229

3-(1-methylethyl)bicyclo(3.2.l)octane-3-carboxamide

Structural Information

Molecular Formula
C12H21NO
SMILES
CC(C)C1(CC2CCC(C2)C1)C(=O)N
InChI
InChI=1S/C12H21NO/c1-8(2)12(11(13)14)6-9-3-4-10(5-9)7-12/h8-10H,3-7H2,1-2H3,(H2,13,14)
InChIKey
ZNAKEIYQYRHZRE-UHFFFAOYSA-N
Compound name
3-propan-2-ylbicyclo[3.2.1]octane-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.16231 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.169586 148.4
[M+Na]+ 218.151528 152.8
[M-H]- 194.155034 149.9
[M+NH4]+ 213.196133 172.4
[M+K]+ 234.125468 150.7
[M+H-H2O]+ 178.159570 143.9
[M+HCOO]- 240.160511 165.1
[M+CH3COO]- 254.176161 188.2
[M+Na-2H]- 216.136976 149.9
[M]+ 195.16176142 143.3
[M]- 195.16285858 143.3
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