CID 121660

30249-25-3

Structural Information

Molecular Formula
C11H23N
SMILES
CC(C)CCNC1CCCCC1
InChI
InChI=1S/C11H23N/c1-10(2)8-9-12-11-6-4-3-5-7-11/h10-12H,3-9H2,1-2H3
InChIKey
GZYFSWISUVSJGW-UHFFFAOYSA-N
Compound name
N-(3-methylbutyl)cyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

169.18304 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.190316 143.3
[M+Na]+ 192.172258 145.5
[M-H]- 168.175764 145.3
[M+NH4]+ 187.216863 163.1
[M+K]+ 208.146198 144.3
[M+H-H2O]+ 152.180300 137.1
[M+HCOO]- 214.181241 162.8
[M+CH3COO]- 228.196891 184.2
[M+Na-2H]- 190.157706 146.4
[M]+ 169.18249142 138.2
[M]- 169.18358858 138.2
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