CID 11446379

3-[(2-methylbutan-2-yl)amino]propanenitrile

Structural Information

Molecular Formula
C8H16N2
SMILES
CCC(C)(C)NCCC#N
InChI
InChI=1S/C8H16N2/c1-4-8(2,3)10-7-5-6-9/h10H,4-5,7H2,1-3H3
InChIKey
IDQFWKMIYGRCAB-UHFFFAOYSA-N
Compound name
3-(2-methylbutan-2-ylamino)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

140.13135 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.138626 133.6
[M+Na]+ 163.120568 141.3
[M-H]- 139.124074 134.3
[M+NH4]+ 158.165173 153.1
[M+K]+ 179.094508 140.9
[M+H-H2O]+ 123.128610 122.5
[M+HCOO]- 185.129551 152.8
[M+CH3COO]- 199.145201 192.1
[M+Na-2H]- 161.106016 140.0
[M]+ 140.13080142 129.3
[M]- 140.13189858 129.3
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

patents stripe