CID 43512542

N,6,8-trimethyl-3,4-dihydro-2h-1-benzopyran-4-amine

Structural Information

Molecular Formula
C12H17NO
SMILES
CC1=CC(=C2C(=C1)C(CCO2)NC)C
InChI
InChI=1S/C12H17NO/c1-8-6-9(2)12-10(7-8)11(13-3)4-5-14-12/h6-7,11,13H,4-5H2,1-3H3
InChIKey
QYEKEZOOMOEMTP-UHFFFAOYSA-N
Compound name
N,6,8-trimethyl-3,4-dihydro-2H-chromen-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.13101 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.138286 141.9
[M+Na]+ 214.120228 149.5
[M-H]- 190.123734 147.2
[M+NH4]+ 209.164833 161.7
[M+K]+ 230.094168 148.0
[M+H-H2O]+ 174.128270 135.9
[M+HCOO]- 236.129211 162.8
[M+CH3COO]- 250.144861 188.7
[M+Na-2H]- 212.105676 148.9
[M]+ 191.13046142 141.3
[M]- 191.13155858 141.3
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.