CID 3045270

Isobutyl isocyanide

Structural Information

Molecular Formula
C5H9N
SMILES
CC(C)C[N+]#[C-]
InChI
InChI=1S/C5H9N/c1-5(2)4-6-3/h5H,4H2,1-2H3
InChIKey
SSWVVEYZXQCZNK-UHFFFAOYSA-N
Compound name
1-isocyano-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

239
Patents

83.0735 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 84.080776 119.5
[M+Na]+ 106.062718 128.7
[M-H]- 82.066224 119.5
[M+NH4]+ 101.107323 140.5
[M+K]+ 122.036658 123.9
[M+H-H2O]+ 66.070760 113.9
[M+HCOO]- 128.071701 138.5
[M+CH3COO]- 142.087351 171.6
[M+Na-2H]- 104.048166 126.4
[M]+ 83.07295142 111.8
[M]- 83.07404858 111.8
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