CID 2760963

(4-(aminomethyl)phenyl)(phenyl)methanone hydrochloride

Structural Information

Molecular Formula
C14H13NO
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)CN
InChI
InChI=1S/C14H13NO/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12/h1-9H,10,15H2
InChIKey
UFQYYMAIVVSKPU-UHFFFAOYSA-N
Compound name
[4-(aminomethyl)phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

141
Patents

211.09972 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.106996 146.7
[M+Na]+ 234.088938 153.4
[M-H]- 210.092444 152.9
[M+NH4]+ 229.133543 164.6
[M+K]+ 250.062878 149.5
[M+H-H2O]+ 194.096980 139.4
[M+HCOO]- 256.097921 170.9
[M+CH3COO]- 270.113571 189.4
[M+Na-2H]- 232.074386 152.2
[M]+ 211.09917142 144.6
[M]- 211.10026858 144.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe