CID 64104131

2-methyl-2-phenyloxan-4-amine hydrochloride

Structural Information

Molecular Formula
C12H17NO
SMILES
CC1(CC(CCO1)N)C2=CC=CC=C2
InChI
InChI=1S/C12H17NO/c1-12(9-11(13)7-8-14-12)10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3
InChIKey
QHPQQMJQLNBMRO-UHFFFAOYSA-N
Compound name
2-methyl-2-phenyloxan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

191.13101 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.138286 143.2
[M+Na]+ 214.120228 148.8
[M-H]- 190.123734 149.7
[M+NH4]+ 209.164833 162.7
[M+K]+ 230.094168 147.4
[M+H-H2O]+ 174.128270 136.7
[M+HCOO]- 236.129211 163.7
[M+CH3COO]- 250.144861 183.8
[M+Na-2H]- 212.105676 149.9
[M]+ 191.13046142 138.3
[M]- 191.13155858 138.3
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.