CID 234485

(3-methyloxiran-2-yl)methanol

Structural Information

Molecular Formula
C4H8O2
SMILES
CC1C(O1)CO
InChI
InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3
InChIKey
QQHZNUPEBVRUFO-UHFFFAOYSA-N
Compound name
(3-methyloxiran-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

611
Patents

88.05243 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 89.059706 114.2
[M+Na]+ 111.04165 124.8
[M-H]- 87.045154 119.0
[M+NH4]+ 106.08625 131.6
[M+K]+ 127.01559 124.7
[M+H-H2O]+ 71.049690 109.2
[M+HCOO]- 133.05063 136.9
[M+CH3COO]- 147.06628 166.0
[M+Na-2H]- 109.02710 122.9
[M]+ 88.051881 118.0
[M]- 88.052979 118.0
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