CID 3057402

74038-12-3

Structural Information

Molecular Formula
C18H29N2
SMILES
C[N+]1(CCN(CC1)C2(CCCCC2)C3=CC=CC=C3)C
InChI
InChI=1S/C18H29N2/c1-20(2)15-13-19(14-16-20)18(11-7-4-8-12-18)17-9-5-3-6-10-17/h3,5-6,9-10H,4,7-8,11-16H2,1-2H3/q+1
InChIKey
BDYSPMUPEJPIGT-UHFFFAOYSA-N
Compound name
1,1-dimethyl-4-(1-phenylcyclohexyl)piperazin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.23306 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.24034 170.0
[M+Na]+ 296.22228 172.6
[M-H]- 272.22578 175.2
[M+NH4]+ 291.26688 186.2
[M+K]+ 312.19622 163.1
[M+H-H2O]+ 256.23032 162.0
[M+HCOO]- 318.23126 182.6
[M+CH3COO]- 332.24691 191.3
[M+Na-2H]- 294.20773 175.2
[M]+ 273.23251 159.4
[M]- 273.23361 159.4
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

No patent data available for this compound.