CID 81013454

1955541-11-3

Structural Information

Molecular Formula
C12H17N
SMILES
CC1=CC(=C(C=C1)C2CCC2N)C
InChI
InChI=1S/C12H17N/c1-8-3-4-10(9(2)7-8)11-5-6-12(11)13/h3-4,7,11-12H,5-6,13H2,1-2H3
InChIKey
NCTDAHSPXWJWFO-UHFFFAOYSA-N
Compound name
2-(2,4-dimethylphenyl)cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.1361 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14338 139.2
[M+Na]+ 198.12532 147.7
[M+NH4]+ 193.16992 144.9
[M+K]+ 214.09926 142.5
[M-H]- 174.12882 141.5
[M+Na-2H]- 196.11077 144.3
[M]+ 175.13555 139.9
[M]- 175.13665 139.9
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.