CID 887

Methanol

Structural Information

Molecular Formula
CH4O
SMILES
CO
InChI
InChI=1S/CH4O/c1-2/h2H,1H3
InChIKey
OKKJLVBELUTLKV-UHFFFAOYSA-N
Compound name
methanol
Related CIDs

2D Structure

compound 2d structure
11
Annotation Hits

19121
References

680942
Patents

32.026215 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 33.033491 98.9
[M+Na]+ 55.015433 107.8
[M-H]- 31.018939 98.7
[M+NH4]+ 50.060038 124.4
[M+K]+ 70.989373 108.6
[M+H-H2O]+ 15.023475 96.0
[M+HCOO]- 77.024416 123.1
[M+CH3COO]- 91.040066 152.0
[M+Na-2H]- 53.000881 108.4
[M]+ 32.025666 98.0
[M]- 32.026764 98.0
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