CID 5238824

2-(tert-butylamino)acetonitrile

Structural Information

Molecular Formula
C6H12N2
SMILES
CC(C)(C)NCC#N
InChI
InChI=1S/C6H12N2/c1-6(2,3)8-5-4-7/h8H,5H2,1-3H3
InChIKey
KOOCPROKRWKLJI-UHFFFAOYSA-N
Compound name
2-(tert-butylamino)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

112.10005 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.107326 126.0
[M+Na]+ 135.089268 134.5
[M-H]- 111.092774 127.1
[M+NH4]+ 130.133873 146.5
[M+K]+ 151.063208 134.6
[M+H-H2O]+ 95.097310 115.3
[M+HCOO]- 157.098251 145.8
[M+CH3COO]- 171.113901 186.0
[M+Na-2H]- 133.074716 133.3
[M]+ 112.09950142 120.9
[M]- 112.10059858 120.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe