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

12
Patents

191.13101 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.138286 146.0
[M+Na]+ 214.120228 149.9
[M-H]- 190.123734 150.4
[M+NH4]+ 209.164833 159.4
[M+K]+ 230.094168 150.2
[M+H-H2O]+ 174.128270 135.0
[M+HCOO]- 236.129211 165.9
[M+CH3COO]- 250.144861 185.9
[M+Na-2H]- 212.105676 150.5
[M]+ 191.13046142 150.3
[M]- 191.13155858 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