CID 112756728

{1-[amino(phenyl)methyl]cyclobutyl}methanol

Structural Information

Molecular Formula
C12H17NO
SMILES
C1CC(C1)(CO)C(C2=CC=CC=C2)N
InChI
InChI=1S/C12H17NO/c13-11(10-5-2-1-3-6-10)12(9-14)7-4-8-12/h1-3,5-6,11,14H,4,7-9,13H2
InChIKey
OQIOVDLNYHDZBT-UHFFFAOYSA-N
Compound name
[1-[amino(phenyl)methyl]cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

191.13101 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 146.0
[M+Na]+ 214.12023 149.9
[M-H]- 190.12373 150.4
[M+NH4]+ 209.16483 159.4
[M+K]+ 230.09417 150.2
[M+H-H2O]+ 174.12827 135.0
[M+HCOO]- 236.12921 165.9
[M+CH3COO]- 250.14486 185.9
[M+Na-2H]- 212.10568 150.5
[M]+ 191.13046 150.3
[M]- 191.13156 150.3
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

patents stripe