CID 6650

4-(2-aminopropan-2-yl)-1-methylcyclohexan-1-amine

Structural Information

Molecular Formula
C10H22N2
SMILES
CC1(CCC(CC1)C(C)(C)N)N
InChI
InChI=1S/C10H22N2/c1-9(2,11)8-4-6-10(3,12)7-5-8/h8H,4-7,11-12H2,1-3H3
InChIKey
KOGSPLLRMRSADR-UHFFFAOYSA-N
Compound name
4-(2-aminopropan-2-yl)-1-methylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

6439
Patents

170.1783 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.185576 141.1
[M+Na]+ 193.167518 145.7
[M-H]- 169.171024 143.2
[M+NH4]+ 188.212123 162.6
[M+K]+ 209.141458 144.1
[M+H-H2O]+ 153.175560 136.6
[M+HCOO]- 215.176501 160.1
[M+CH3COO]- 229.192151 185.0
[M+Na-2H]- 191.152966 145.4
[M]+ 170.17775142 133.7
[M]- 170.17884858 133.7
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