CID 3021719

5-((4-aminocyclohexyl)methyl)-o-toluidine

Structural Information

Molecular Formula
C14H22N2
SMILES
CC1=C(C=C(C=C1)CC2CCC(CC2)N)N
InChI
InChI=1S/C14H22N2/c1-10-2-3-12(9-14(10)16)8-11-4-6-13(15)7-5-11/h2-3,9,11,13H,4-8,15-16H2,1H3
InChIKey
JXKCXZZWQAMWAH-UHFFFAOYSA-N
Compound name
5-[(4-aminocyclohexyl)methyl]-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

218.1783 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.185576 152.5
[M+Na]+ 241.167518 157.3
[M-H]- 217.171024 157.7
[M+NH4]+ 236.212123 170.1
[M+K]+ 257.141458 153.2
[M+H-H2O]+ 201.175560 145.3
[M+HCOO]- 263.176501 173.4
[M+CH3COO]- 277.192151 195.1
[M+Na-2H]- 239.152966 154.1
[M]+ 218.17775142 145.1
[M]- 218.17884858 145.1
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