CID 23577

Tert-butyl isocyanide

Structural Information

Molecular Formula
C5H9N
SMILES
CC(C)(C)[N+]#[C-]
InChI
InChI=1S/C5H9N/c1-5(2,3)6-4/h1-3H3
InChIKey
FAGLEPBREOXSAC-UHFFFAOYSA-N
Compound name
2-isocyano-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

48
References

3703
Patents

83.0735 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 84.080776 121.2
[M+Na]+ 106.062718 131.0
[M-H]- 82.066224 121.6
[M+NH4]+ 101.107323 142.5
[M+K]+ 122.036658 126.3
[M+H-H2O]+ 66.070760 116.2
[M+HCOO]- 128.071701 139.8
[M+CH3COO]- 142.087351 171.1
[M+Na-2H]- 104.048166 129.9
[M]+ 83.07295142 113.7
[M]- 83.07404858 113.7
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