CID 16643000

1185300-28-0

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

CC1=CC2=C(C=C1)C(CC(O2)(C)C)N

InChI

InChI=1S/C12H17NO/c1-8-4-5-9-10(13)7-12(2,3)14-11(9)6-8/h4-6,10H,7,13H2,1-3H3

InChIKey

BKAPEEZAPOLFQE-UHFFFAOYSA-N

Compound name

2,2,7-trimethyl-3,4-dihydrochromen-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 191.13101 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	192.138286	141.9
[M+Na]+	214.120228	150.6
[M-H]-	190.123734	147.1
[M+NH4]+	209.164833	163.5
[M+K]+	230.094168	148.9
[M+H-H2O]+	174.128270	136.6
[M+HCOO]-	236.129211	162.2
[M+CH3COO]-	250.144861	187.6
[M+Na-2H]-	212.105676	149.0
[M]+	191.13046142	140.6
[M]-	191.13155858	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe