CID 90731

78109-95-2

Structural Information

Molecular Formula
C17H21NO
SMILES
CCC(CN)C(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C17H21NO/c1-2-14(13-18)17(19,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,19H,2,13,18H2,1H3
InChIKey
GFNWHHPVGUTUOC-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-1,1-diphenylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.16231 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.16959 161.6
[M+Na]+ 278.15153 165.7
[M-H]- 254.15503 165.7
[M+NH4]+ 273.19613 176.8
[M+K]+ 294.12547 161.3
[M+H-H2O]+ 238.15957 154.3
[M+HCOO]- 300.16051 181.5
[M+CH3COO]- 314.17616 196.0
[M+Na-2H]- 276.13698 166.4
[M]+ 255.16176 158.5
[M]- 255.16286 158.5
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