CID 44277

N,n-pentylbenzylcyclohexylamine

Structural Information

Molecular Formula
C18H29N
SMILES
CCCCCN(CC1=CC=CC=C1)C2CCCCC2
InChI
InChI=1S/C18H29N/c1-2-3-10-15-19(18-13-8-5-9-14-18)16-17-11-6-4-7-12-17/h4,6-7,11-12,18H,2-3,5,8-10,13-16H2,1H3
InChIKey
MVZGFKGRJPSFOQ-UHFFFAOYSA-N
Compound name
N-benzyl-N-pentylcyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

259.23 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.23728 166.4
[M+Na]+ 282.21922 167.3
[M-H]- 258.22272 172.0
[M+NH4]+ 277.26382 182.7
[M+K]+ 298.19316 164.3
[M+H-H2O]+ 242.22726 157.6
[M+HCOO]- 304.22820 186.5
[M+CH3COO]- 318.24385 203.4
[M+Na-2H]- 280.20467 168.7
[M]+ 259.22945 162.9
[M]- 259.23055 162.9
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