CID 43378546

2243505-03-3

Structural Information

Molecular Formula
C14H21N
SMILES
CC(C)(C)C1=CC=C(C=C1)C2(CCC2)N
InChI
InChI=1S/C14H21N/c1-13(2,3)11-5-7-12(8-6-11)14(15)9-4-10-14/h5-8H,4,9-10,15H2,1-3H3
InChIKey
ZENPMQYHXUYRAV-UHFFFAOYSA-N
Compound name
1-(4-tert-butylphenyl)cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.1674 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.174676 149.9
[M+Na]+ 226.156618 155.3
[M-H]- 202.160124 156.1
[M+NH4]+ 221.201223 164.4
[M+K]+ 242.130558 155.4
[M+H-H2O]+ 186.164660 139.6
[M+HCOO]- 248.165601 170.0
[M+CH3COO]- 262.181251 192.2
[M+Na-2H]- 224.142066 155.2
[M]+ 203.16685142 155.9
[M]- 203.16794858 155.9
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

No patent data available for this compound.