CID 178190289

Methyl[(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methyl]amine

Structural Information

Molecular Formula
C11H19N
SMILES
CC1=C(C(CC=C1)(C)C)CNC
InChI
InChI=1S/C11H19N/c1-9-6-5-7-11(2,3)10(9)8-12-4/h5-6,12H,7-8H2,1-4H3
InChIKey
XIVRDTDNZWJCBK-UHFFFAOYSA-N
Compound name
N-methyl-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.15175 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.159026 136.5
[M+Na]+ 188.140968 144.1
[M-H]- 164.144474 140.5
[M+NH4]+ 183.185573 159.6
[M+K]+ 204.114908 142.2
[M+H-H2O]+ 148.149010 131.8
[M+HCOO]- 210.149951 160.1
[M+CH3COO]- 224.165601 184.4
[M+Na-2H]- 186.126416 142.9
[M]+ 165.15120142 136.1
[M]- 165.15229858 136.1
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.