CID 62901491

1-(3,4-dimethylphenyl)cyclopropanamine

Structural Information

Molecular Formula
C11H15N
SMILES
CC1=C(C=C(C=C1)C2(CC2)N)C
InChI
InChI=1S/C11H15N/c1-8-3-4-10(7-9(8)2)11(12)5-6-11/h3-4,7H,5-6,12H2,1-2H3
InChIKey
MAWQTVZAFOZEOS-UHFFFAOYSA-N
Compound name
1-(3,4-dimethylphenyl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

161.12045 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.12773 131.9
[M+Na]+ 184.10967 142.2
[M-H]- 160.11317 139.9
[M+NH4]+ 179.15427 149.9
[M+K]+ 200.08361 139.6
[M+H-H2O]+ 144.11771 126.8
[M+HCOO]- 206.11865 156.6
[M+CH3COO]- 220.13430 185.1
[M+Na-2H]- 182.09512 138.9
[M]+ 161.11990 133.3
[M]- 161.12100 133.3
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