CID 469934

Schembl4417021

Structural Information

Molecular Formula
C12H26N2
SMILES
CC(C)NC1CCCCC1NC(C)C
InChI
InChI=1S/C12H26N2/c1-9(2)13-11-7-5-6-8-12(11)14-10(3)4/h9-14H,5-8H2,1-4H3
InChIKey
VGPJQHMGHSBWTG-UHFFFAOYSA-N
Compound name
1-N,2-N-di(propan-2-yl)cyclohexane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

198.2096 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.21688 151.7
[M+Na]+ 221.19882 153.4
[M-H]- 197.20232 153.9
[M+NH4]+ 216.24342 170.3
[M+K]+ 237.17276 152.4
[M+H-H2O]+ 181.20686 145.2
[M+HCOO]- 243.20780 170.8
[M+CH3COO]- 257.22345 194.2
[M+Na-2H]- 219.18427 152.5
[M]+ 198.20905 145.9
[M]- 198.21015 145.9
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

No patent data available for this compound.