CID 45791755

(2-phenyloxan-3-yl)methanamine

Structural Information

Molecular Formula
C12H17NO
SMILES
C1CC(C(OC1)C2=CC=CC=C2)CN
InChI
InChI=1S/C12H17NO/c13-9-11-7-4-8-14-12(11)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,13H2
InChIKey
PFCSXYMDUSDGAZ-UHFFFAOYSA-N
Compound name
(2-phenyloxan-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

191.13101 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 143.2
[M+Na]+ 214.12023 147.8
[M-H]- 190.12373 149.2
[M+NH4]+ 209.16483 160.5
[M+K]+ 230.09417 146.0
[M+H-H2O]+ 174.12827 136.0
[M+HCOO]- 236.12921 163.7
[M+CH3COO]- 250.14486 184.3
[M+Na-2H]- 212.10568 148.8
[M]+ 191.13046 138.0
[M]- 191.13156 138.0
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

patents stripe