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]+ 166.15903 136.5
[M+Na]+ 188.14097 144.1
[M-H]- 164.14447 140.5
[M+NH4]+ 183.18557 159.6
[M+K]+ 204.11491 142.2
[M+H-H2O]+ 148.14901 131.8
[M+HCOO]- 210.14995 160.1
[M+CH3COO]- 224.16560 184.4
[M+Na-2H]- 186.12642 142.9
[M]+ 165.15120 136.1
[M]- 165.15230 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.