CID 427712

26251-48-9

Structural Information

Molecular Formula
C6H15N3
SMILES
C1C(CC(CC1N)N)N
InChI
InChI=1S/C6H15N3/c7-4-1-5(8)3-6(9)2-4/h4-6H,1-3,7-9H2
InChIKey
UYAUGHKQCCCFDK-UHFFFAOYSA-N
Compound name
cyclohexane-1,3,5-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

27
References

1168
Patents

129.1266 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.133876 127.6
[M+Na]+ 152.115818 132.6
[M-H]- 128.119324 129.5
[M+NH4]+ 147.160423 148.1
[M+K]+ 168.089758 130.9
[M+H-H2O]+ 112.123860 121.9
[M+HCOO]- 174.124801 149.8
[M+CH3COO]- 188.140451 178.6
[M+Na-2H]- 150.101266 130.6
[M]+ 129.12605142 117.6
[M]- 129.12714858 117.6
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