CID 168884259

Methyl[2-(2,6,6-trimethylcyclohex-1-en-1-yl)ethyl]amine

Structural Information

Molecular Formula
C12H23N
SMILES
CC1=C(C(CCC1)(C)C)CCNC
InChI
InChI=1S/C12H23N/c1-10-6-5-8-12(2,3)11(10)7-9-13-4/h13H,5-9H2,1-4H3
InChIKey
UHJCHPJGVVNPDL-UHFFFAOYSA-N
Compound name
N-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

181.18304 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.190316 143.0
[M+Na]+ 204.172258 149.0
[M-H]- 180.175764 146.4
[M+NH4]+ 199.216863 165.3
[M+K]+ 220.146198 147.1
[M+H-H2O]+ 164.180300 138.0
[M+HCOO]- 226.181241 164.7
[M+CH3COO]- 240.196891 187.8
[M+Na-2H]- 202.157706 147.7
[M]+ 181.18249142 141.4
[M]- 181.18358858 141.4
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.