CID 84109579

1-[1-(3-ethylphenyl)cyclopropyl]methanamine

Structural Information

Molecular Formula
C12H17N
SMILES
CCC1=CC(=CC=C1)C2(CC2)CN
InChI
InChI=1S/C12H17N/c1-2-10-4-3-5-11(8-10)12(9-13)6-7-12/h3-5,8H,2,6-7,9,13H2,1H3
InChIKey
SYQYYTYHQOPXGZ-UHFFFAOYSA-N
Compound name
[1-(3-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]+ 176.143376 136.7
[M+Na]+ 198.125318 145.7
[M-H]- 174.128824 144.1
[M+NH4]+ 193.169923 153.8
[M+K]+ 214.099258 142.9
[M+H-H2O]+ 158.133360 131.0
[M+HCOO]- 220.134301 161.1
[M+CH3COO]- 234.149951 186.9
[M+Na-2H]- 196.110766 143.7
[M]+ 175.13555142 138.0
[M]- 175.13664858 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.