CID 15611176

(1-phenylcyclobutyl)methanamine

Structural Information

Molecular Formula
C11H15N
SMILES
C1CC(C1)(CN)C2=CC=CC=C2
InChI
InChI=1S/C11H15N/c12-9-11(7-4-8-11)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,12H2
InChIKey
AUOZFCSMXYBIQW-UHFFFAOYSA-N
Compound name
(1-phenylcyclobutyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

165
Patents

161.12045 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.127726 135.0
[M+Na]+ 184.109668 140.3
[M-H]- 160.113174 141.0
[M+NH4]+ 179.154273 150.5
[M+K]+ 200.083608 140.6
[M+H-H2O]+ 144.117710 124.2
[M+HCOO]- 206.118651 157.6
[M+CH3COO]- 220.134301 182.7
[M+Na-2H]- 182.095116 142.0
[M]+ 161.11990142 140.0
[M]- 161.12099858 140.0
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