CID 19750844

Menthandiamin

Structural Information

Molecular Formula
C10H22N2
SMILES
CC(C)C1CCC(C(C1)N)(C)N
InChI
InChI=1S/C10H22N2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h7-9H,4-6,11-12H2,1-3H3
InChIKey
XGOKOSVLIDVVSC-UHFFFAOYSA-N
Compound name
1-methyl-4-propan-2-ylcyclohexane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

170.1783 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.185576 141.7
[M+Na]+ 193.167518 146.5
[M-H]- 169.171024 144.0
[M+NH4]+ 188.212123 163.3
[M+K]+ 209.141458 145.1
[M+H-H2O]+ 153.175560 137.0
[M+HCOO]- 215.176501 161.3
[M+CH3COO]- 229.192151 186.7
[M+Na-2H]- 191.152966 143.3
[M]+ 170.17775142 134.5
[M]- 170.17884858 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

literature stripe

Patent stripe

patents stripe