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]+ 192.149516 142.2
[M+Na]+ 214.131458 146.3
[M-H]- 190.134964 146.2
[M+NH4]+ 209.176063 159.1
[M+K]+ 230.105398 143.1
[M+H-H2O]+ 174.139500 134.0
[M+HCOO]- 236.140441 163.5
[M+CH3COO]- 250.156091 186.9
[M+Na-2H]- 212.116906 148.1
[M]+ 191.14169142 134.5
[M]- 191.14278858 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