CID 19704562

202654-29-3

Structural Information

Molecular Formula
C20H36N2
SMILES
CC(C)CCC(C)NC1=CC=CC=C1NC(C)CCC(C)C
InChI
InChI=1S/C20H36N2/c1-15(2)11-13-17(5)21-19-9-7-8-10-20(19)22-18(6)14-12-16(3)4/h7-10,15-18,21-22H,11-14H2,1-6H3
InChIKey
DIPUOCQXXYYIJO-UHFFFAOYSA-N
Compound name
1-N,2-N-bis(5-methylhexan-2-yl)benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

304.28784 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.29512 184.3
[M+Na]+ 327.27706 185.2
[M-H]- 303.28056 186.3
[M+NH4]+ 322.32166 198.6
[M+K]+ 343.25100 182.6
[M+H-H2O]+ 287.28510 176.4
[M+HCOO]- 349.28604 203.1
[M+CH3COO]- 363.30169 218.9
[M+Na-2H]- 325.26251 181.3
[M]+ 304.28729 184.5
[M]- 304.28839 184.5
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