CID 24152678

(cyclobutylmethyl)(1-phenylethyl)amine

Structural Information

Molecular Formula
C13H19N
SMILES
CC(C1=CC=CC=C1)NCC2CCC2
InChI
InChI=1S/C13H19N/c1-11(13-8-3-2-4-9-13)14-10-12-6-5-7-12/h2-4,8-9,11-12,14H,5-7,10H2,1H3
InChIKey
WWHFXZPZKIRVOJ-UHFFFAOYSA-N
Compound name
N-(cyclobutylmethyl)-1-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

189.15175 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.159026 143.1
[M+Na]+ 212.140968 146.2
[M-H]- 188.144474 148.8
[M+NH4]+ 207.185573 155.6
[M+K]+ 228.114908 146.9
[M+H-H2O]+ 172.149010 130.8
[M+HCOO]- 234.149951 164.6
[M+CH3COO]- 248.165601 190.4
[M+Na-2H]- 210.126416 147.9
[M]+ 189.15120142 148.8
[M]- 189.15229858 148.8
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