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

2
Patents

195.16231 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.16959 148.4
[M+Na]+ 218.15153 152.8
[M-H]- 194.15503 149.9
[M+NH4]+ 213.19613 172.4
[M+K]+ 234.12547 150.7
[M+H-H2O]+ 178.15957 143.9
[M+HCOO]- 240.16051 165.1
[M+CH3COO]- 254.17616 188.2
[M+Na-2H]- 216.13698 149.9
[M]+ 195.16176 143.3
[M]- 195.16286 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