CID 115784

3-(2-methylallyloxy)-1,2-propanediol

Structural Information

Molecular Formula
C7H14O3
SMILES
CC(=C)COCC(CO)O
InChI
InChI=1S/C7H14O3/c1-6(2)4-10-5-7(9)3-8/h7-9H,1,3-5H2,2H3
InChIKey
HALWGCIWQTXDID-UHFFFAOYSA-N
Compound name
3-(2-methylprop-2-enoxy)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

146.0943 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.101576 133.2
[M+Na]+ 169.083518 138.9
[M-H]- 145.087024 130.5
[M+NH4]+ 164.128123 153.1
[M+K]+ 185.057458 138.3
[M+H-H2O]+ 129.091560 128.8
[M+HCOO]- 191.092501 152.5
[M+CH3COO]- 205.108151 171.6
[M+Na-2H]- 167.068966 136.0
[M]+ 146.09375142 133.3
[M]- 146.09484858 133.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe