CID 56611

Asa 214-12

Structural Information

Molecular Formula
C12H23N
SMILES
CCC1(C2CCC(C2)C1NC)CC
InChI
InChI=1S/C12H23N/c1-4-12(5-2)10-7-6-9(8-10)11(12)13-3/h9-11,13H,4-8H2,1-3H3
InChIKey
ANYHJUDFJZJIHH-UHFFFAOYSA-N
Compound name
3,3-diethyl-N-methylbicyclo[2.2.1]heptan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.18304 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.190316 145.2
[M+Na]+ 204.172258 151.8
[M-H]- 180.175764 147.9
[M+NH4]+ 199.216863 172.5
[M+K]+ 220.146198 149.1
[M+H-H2O]+ 164.180300 141.2
[M+HCOO]- 226.181241 166.4
[M+CH3COO]- 240.196891 187.2
[M+Na-2H]- 202.157706 148.3
[M]+ 181.18249142 144.2
[M]- 181.18358858 144.2
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

No patent data available for this compound.