CID 103235

1,4-cyclohexanedimethanamine, 1-ethyl-

Structural Information

Molecular Formula
C10H22N2
SMILES
CCC1(CCC(CC1)CN)CN
InChI
InChI=1S/C10H22N2/c1-2-10(8-12)5-3-9(7-11)4-6-10/h9H,2-8,11-12H2,1H3
InChIKey
RQZPVTJKRKQPGB-UHFFFAOYSA-N
Compound name
[4-(aminomethyl)-4-ethylcyclohexyl]methanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

170.1783 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.185576 141.3
[M+Na]+ 193.167518 145.4
[M-H]- 169.171024 143.1
[M+NH4]+ 188.212123 162.7
[M+K]+ 209.141458 143.4
[M+H-H2O]+ 153.175560 136.1
[M+HCOO]- 215.176501 161.9
[M+CH3COO]- 229.192151 184.6
[M+Na-2H]- 191.152966 144.9
[M]+ 170.17775142 134.4
[M]- 170.17884858 134.4
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