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

20
Patents

173.12045 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.12773 140.1
[M+Na]+ 196.10967 147.9
[M-H]- 172.11317 149.6
[M+NH4]+ 191.15427 148.9
[M+K]+ 212.08361 145.4
[M+H-H2O]+ 156.11771 134.1
[M+HCOO]- 218.11865 162.0
[M+CH3COO]- 232.13430 151.2
[M+Na-2H]- 194.09512 144.0
[M]+ 173.11990 141.5
[M]- 173.12100 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