CID 43378542

1235440-78-4

Structural Information

Molecular Formula
C15H23N
SMILES
CC(C)(C)C1=CC=C(C=C1)C2(CCC2)CN
InChI
InChI=1S/C15H23N/c1-14(2,3)12-5-7-13(8-6-12)15(11-16)9-4-10-15/h5-8H,4,9-11,16H2,1-3H3
InChIKey
HADWGBBTCWBMLP-UHFFFAOYSA-N
Compound name
[1-(4-tert-butylphenyl)cyclobutyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.18304 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.19032 154.6
[M+Na]+ 240.17226 159.5
[M-H]- 216.17576 160.5
[M+NH4]+ 235.21686 168.4
[M+K]+ 256.14620 159.4
[M+H-H2O]+ 200.18030 144.0
[M+HCOO]- 262.18124 174.2
[M+CH3COO]- 276.19689 195.1
[M+Na-2H]- 238.15771 159.3
[M]+ 217.18249 160.8
[M]- 217.18359 160.8
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

No patent data available for this compound.