CID 81013454

2-(2,4-dimethylphenyl)cyclobutan-1-amine hydrochloride

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]+ 176.143376 138.5
[M+Na]+ 198.125318 145.1
[M-H]- 174.128824 145.0
[M+NH4]+ 193.169923 152.4
[M+K]+ 214.099258 145.2
[M+H-H2O]+ 158.133360 127.2
[M+HCOO]- 220.134301 160.7
[M+CH3COO]- 234.149951 189.3
[M+Na-2H]- 196.110766 142.0
[M]+ 175.13555142 144.7
[M]- 175.13664858 144.7
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.