CID 105425243

[1-(2-ethylphenyl)cyclopropyl]methanamine

Structural Information

Molecular Formula
C12H17N
SMILES
CCC1=CC=CC=C1C2(CC2)CN
InChI
InChI=1S/C12H17N/c1-2-10-5-3-4-6-11(10)12(9-13)7-8-12/h3-6H,2,7-9,13H2,1H3
InChIKey
LSWCUODMLBREQR-UHFFFAOYSA-N
Compound name
[1-(2-ethylphenyl)cyclopropyl]methanamine
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 136.7
[M+Na]+ 198.12532 145.7
[M-H]- 174.12882 144.1
[M+NH4]+ 193.16992 153.8
[M+K]+ 214.09926 142.9
[M+H-H2O]+ 158.13336 131.0
[M+HCOO]- 220.13430 161.1
[M+CH3COO]- 234.14995 186.9
[M+Na-2H]- 196.11077 143.7
[M]+ 175.13555 138.0
[M]- 175.13665 138.0
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.