CID 85820437

3,5-dicyclopropylaniline

Structural Information

Molecular Formula
C12H15N
SMILES
C1CC1C2=CC(=CC(=C2)N)C3CC3
InChI
InChI=1S/C12H15N/c13-12-6-10(8-1-2-8)5-11(7-12)9-3-4-9/h5-9H,1-4,13H2
InChIKey
PGUFHPXWCXOPJR-UHFFFAOYSA-N
Compound name
3,5-dicyclopropylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

173.12045 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.127726 140.1
[M+Na]+ 196.109668 147.9
[M-H]- 172.113174 149.6
[M+NH4]+ 191.154273 148.9
[M+K]+ 212.083608 145.4
[M+H-H2O]+ 156.117710 134.1
[M+HCOO]- 218.118651 162.0
[M+CH3COO]- 232.134301 151.2
[M+Na-2H]- 194.095116 144.0
[M]+ 173.11990142 141.5
[M]- 173.12099858 141.5
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