CID 202430

Brn 2355688

Structural Information

Molecular Formula
C13H26N2
SMILES
CC(C)C(CCCN(C)C)(C#N)C(C)C
InChI
InChI=1S/C13H26N2/c1-11(2)13(10-14,12(3)4)8-7-9-15(5)6/h11-12H,7-9H2,1-6H3
InChIKey
CIKHVDILYPUSTI-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-2,2-di(propan-2-yl)pentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.2096 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.21688 154.9
[M+Na]+ 233.19882 160.6
[M-H]- 209.20232 156.4
[M+NH4]+ 228.24342 172.4
[M+K]+ 249.17276 161.0
[M+H-H2O]+ 193.20686 143.0
[M+HCOO]- 255.20780 171.4
[M+CH3COO]- 269.22345 210.3
[M+Na-2H]- 231.18427 156.1
[M]+ 210.20905 152.3
[M]- 210.21015 152.3
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.