CID 59587824

3-n-cyclohexylpyridine-2,3-diamine

Structural Information

Molecular Formula
C11H17N3
SMILES
C1CCC(CC1)NC2=C(N=CC=C2)N
InChI
InChI=1S/C11H17N3/c12-11-10(7-4-8-13-11)14-9-5-2-1-3-6-9/h4,7-9,14H,1-3,5-6H2,(H2,12,13)
InChIKey
CLWPVXLYGATKMF-UHFFFAOYSA-N
Compound name
3-N-cyclohexylpyridine-2,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

191.14224 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.14952 142.2
[M+Na]+ 214.13146 146.3
[M-H]- 190.13496 146.2
[M+NH4]+ 209.17606 159.1
[M+K]+ 230.10540 143.1
[M+H-H2O]+ 174.13950 134.0
[M+HCOO]- 236.14044 163.5
[M+CH3COO]- 250.15609 186.9
[M+Na-2H]- 212.11691 148.1
[M]+ 191.14169 134.5
[M]- 191.14279 134.5
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