CID 16793134

1-amino-4-tert-butylcyclohexane-1-carbonitrile hydrochloride

Structural Information

Molecular Formula
C11H20N2
SMILES
CC(C)(C)C1CCC(CC1)(C#N)N
InChI
InChI=1S/C11H20N2/c1-10(2,3)9-4-6-11(13,8-12)7-5-9/h9H,4-7,13H2,1-3H3
InChIKey
KRFKBXXGOKTNDZ-UHFFFAOYSA-N
Compound name
1-amino-4-tert-butylcyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

180.16264 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.16992 145.6
[M+Na]+ 203.15186 153.3
[M-H]- 179.15536 148.5
[M+NH4]+ 198.19646 165.3
[M+K]+ 219.12580 150.2
[M+H-H2O]+ 163.15990 135.0
[M+HCOO]- 225.16084 161.1
[M+CH3COO]- 239.17649 196.2
[M+Na-2H]- 201.13731 149.9
[M]+ 180.16209 136.0
[M]- 180.16319 136.0
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