CID 79333053

2-ethyl-1-(3-methylphenyl)cyclopropan-1-amine

Structural Information

Molecular Formula
C12H17N
SMILES
CCC1CC1(C2=CC=CC(=C2)C)N
InChI
InChI=1S/C12H17N/c1-3-10-8-12(10,13)11-6-4-5-9(2)7-11/h4-7,10H,3,8,13H2,1-2H3
InChIKey
PDMGEVAHVUYGPY-UHFFFAOYSA-N
Compound name
2-ethyl-1-(3-methylphenyl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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 136.2
[M+Na]+ 198.12532 146.0
[M-H]- 174.12882 143.9
[M+NH4]+ 193.16992 153.6
[M+K]+ 214.09926 143.2
[M+H-H2O]+ 158.13336 130.8
[M+HCOO]- 220.13430 160.4
[M+CH3COO]- 234.14995 188.0
[M+Na-2H]- 196.11077 142.6
[M]+ 175.13555 137.9
[M]- 175.13665 137.9
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

patents stripe