CID 130600

109434-22-2

Structural Information

Molecular Formula
C6H11NO
SMILES
CC(C)(C[N+]#[C-])OC
InChI
InChI=1S/C6H11NO/c1-6(2,8-4)5-7-3/h5H2,1-2,4H3
InChIKey
LJJFNFYPZOHRHM-UHFFFAOYSA-N
Compound name
1-isocyano-2-methoxy-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

5977
References

1808
Patents

113.08406 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 128.2
[M+Na]+ 136.07328 137.5
[M-H]- 112.07678 128.3
[M+NH4]+ 131.11788 148.3
[M+K]+ 152.04722 133.0
[M+H-H2O]+ 96.081320 122.7
[M+HCOO]- 158.08226 146.7
[M+CH3COO]- 172.09791 175.5
[M+Na-2H]- 134.05873 136.4
[M]+ 113.08351 122.2
[M]- 113.08461 122.2
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