CID 165748442

2803856-24-6

Structural Information

Molecular Formula
C12H17NO
SMILES
C1C(CC1(CO)N)CC2=CC=CC=C2
InChI
InChI=1S/C12H17NO/c13-12(9-14)7-11(8-12)6-10-4-2-1-3-5-10/h1-5,11,14H,6-9,13H2
InChIKey
WWINFFCEXGDRGS-UHFFFAOYSA-N
Compound name
(1-amino-3-benzylcyclobutyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.13101 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 143.7
[M+Na]+ 214.12023 150.6
[M+NH4]+ 209.16483 149.9
[M+K]+ 230.09417 144.2
[M-H]- 190.12373 144.8
[M+Na-2H]- 212.10568 149.7
[M]+ 191.13046 143.9
[M]- 191.13156 143.9
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.