CID 599880

Pcpr

Structural Information

Molecular Formula
C15H23N
SMILES
CCCNC1(CCCCC1)C2=CC=CC=C2
InChI
InChI=1S/C15H23N/c1-2-13-16-15(11-7-4-8-12-15)14-9-5-3-6-10-14/h3,5-6,9-10,16H,2,4,7-8,11-13H2,1H3
InChIKey
KHXNTQRMMGXPQW-UHFFFAOYSA-N
Compound name
1-phenyl-N-propylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

54
Patents

217.18304 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.19032 152.7
[M+Na]+ 240.17226 155.9
[M-H]- 216.17576 158.0
[M+NH4]+ 235.21686 172.3
[M+K]+ 256.14620 152.5
[M+H-H2O]+ 200.18030 145.4
[M+HCOO]- 262.18124 173.5
[M+CH3COO]- 276.19689 190.5
[M+Na-2H]- 238.15771 158.5
[M]+ 217.18249 147.3
[M]- 217.18359 147.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe