CID 32142

Trebenzomine

Structural Information

Molecular Formula
C12H17NO
SMILES
CC1C(CC2=CC=CC=C2O1)N(C)C
InChI
InChI=1S/C12H17NO/c1-9-11(13(2)3)8-10-6-4-5-7-12(10)14-9/h4-7,9,11H,8H2,1-3H3
InChIKey
FDJAKSHVOONYHX-UHFFFAOYSA-N
Compound name
N,N,2-trimethyl-3,4-dihydro-2H-chromen-3-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

250
Patents

191.13101 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 141.9
[M+Na]+ 214.12023 148.7
[M-H]- 190.12373 148.3
[M+NH4]+ 209.16483 162.0
[M+K]+ 230.09417 148.5
[M+H-H2O]+ 174.12827 135.5
[M+HCOO]- 236.12921 163.3
[M+CH3COO]- 250.14486 191.0
[M+Na-2H]- 212.10568 148.8
[M]+ 191.13046 142.1
[M]- 191.13156 142.1
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.