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

141
Patents

161.12045 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.12773 135.0
[M+Na]+ 184.10967 140.3
[M-H]- 160.11317 141.0
[M+NH4]+ 179.15427 150.5
[M+K]+ 200.08361 140.6
[M+H-H2O]+ 144.11771 124.2
[M+HCOO]- 206.11865 157.6
[M+CH3COO]- 220.13430 182.7
[M+Na-2H]- 182.09512 142.0
[M]+ 161.11990 140.0
[M]- 161.12100 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