CID 112127

68975-79-1

Structural Information

Molecular Formula
C12H25N3
SMILES
CC(CCNCCC#N)CC(C)(C)CN
InChI
InChI=1S/C12H25N3/c1-11(9-12(2,3)10-14)5-8-15-7-4-6-13/h11,15H,4-5,7-10,14H2,1-3H3
InChIKey
DSOBUSVNEHKUKB-UHFFFAOYSA-N
Compound name
3-[(6-amino-3,5,5-trimethylhexyl)amino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

211.20485 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.21213 155.4
[M+Na]+ 234.19407 161.9
[M+NH4]+ 229.23867 158.5
[M+K]+ 250.16801 153.8
[M-H]- 210.19757 147.9
[M+Na-2H]- 232.17952 154.9
[M]+ 211.20430 153.1
[M]- 211.20540 153.1
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

No patent data available for this compound.