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
1
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]+ 171.18558 141.3
[M+Na]+ 193.16752 145.4
[M-H]- 169.17102 143.1
[M+NH4]+ 188.21212 162.7
[M+K]+ 209.14146 143.4
[M+H-H2O]+ 153.17556 136.1
[M+HCOO]- 215.17650 161.9
[M+CH3COO]- 229.19215 184.6
[M+Na-2H]- 191.15297 144.9
[M]+ 170.17775 134.4
[M]- 170.17885 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