CID 6347

Isocyanic acid

Structural Information

Molecular Formula
CHNO
SMILES
C(=N)=O
InChI
InChI=1S/CHNO/c2-1-3/h2H
InChIKey
OWIKHYCFFJSOEH-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

2802
References

344160
Patents

43.005814 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 44.013090 99.6
[M+Na]+ 65.995032 108.6
[M-H]- 41.998538 100.8
[M+NH4]+ 61.039637 124.8
[M+K]+ 81.968972 109.0
[M+H-H2O]+ 26.003074 96.0
[M+HCOO]- 88.004015 126.7
[M+CH3COO]- 102.01966 156.7
[M+Na-2H]- 63.980480 109.8
[M]+ 43.005265 98.2
[M]- 43.006363 98.2
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