CID 141483

Propen-2-ol

Structural Information

Molecular Formula
C3H6O
SMILES
CC(=C)O
InChI
InChI=1S/C3H6O/c1-3(2)4/h4H,1H2,2H3
InChIKey
NARVIWMVBMUEOG-UHFFFAOYSA-N
Compound name
prop-1-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15575
Patents

58.041866 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 59.049142 107.3
[M+Na]+ 81.031084 115.4
[M-H]- 57.034590 106.9
[M+NH4]+ 76.075689 131.7
[M+K]+ 97.005024 115.5
[M+H-H2O]+ 41.039126 104.0
[M+HCOO]- 103.040067 130.0
[M+CH3COO]- 117.055717 157.2
[M+Na-2H]- 79.016532 114.4
[M]+ 58.04131742 105.6
[M]- 58.04241458 105.6
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