CID 2758646

72443-18-6

Structural Information

Molecular Formula
C6H11N
SMILES
CC(C)(C)C[N+]#[C-]
InChI
InChI=1S/C6H11N/c1-6(2,3)5-7-4/h5H2,1-3H3
InChIKey
XQBCCNOZAODMHL-UHFFFAOYSA-N
Compound name
1-isocyano-2,2-dimethylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

199
Patents

97.08915 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.096426 125.7
[M+Na]+ 120.07837 135.2
[M-H]- 96.081874 125.9
[M+NH4]+ 115.12297 146.5
[M+K]+ 136.05231 130.2
[M+H-H2O]+ 80.086410 120.5
[M+HCOO]- 142.08735 144.0
[M+CH3COO]- 156.10300 173.3
[M+Na-2H]- 118.06382 133.9
[M]+ 97.088601 118.4
[M]- 97.089699 118.4
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