CID 3019604

84029-88-9

Structural Information

Molecular Formula
C12H26N2
SMILES
CC1C(C(C(C(C1N)C)C(C)C)N)C
InChI
InChI=1S/C12H26N2/c1-6(2)10-9(5)11(13)7(3)8(4)12(10)14/h6-12H,13-14H2,1-5H3
InChIKey
HBMMSKPAUGPKSV-UHFFFAOYSA-N
Compound name
2,3,5-trimethyl-6-propan-2-ylcyclohexane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.2096 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.216876 151.3
[M+Na]+ 221.198818 157.2
[M-H]- 197.202324 154.0
[M+NH4]+ 216.243423 170.7
[M+K]+ 237.172758 155.1
[M+H-H2O]+ 181.206860 146.1
[M+HCOO]- 243.207801 170.1
[M+CH3COO]- 257.223451 197.0
[M+Na-2H]- 219.184266 148.5
[M]+ 198.20905142 145.7
[M]- 198.21014858 145.7
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.