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

63
Patents

146.0943 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.10158 133.2
[M+Na]+ 169.08352 138.9
[M-H]- 145.08702 130.5
[M+NH4]+ 164.12812 153.1
[M+K]+ 185.05746 138.3
[M+H-H2O]+ 129.09156 128.8
[M+HCOO]- 191.09250 152.5
[M+CH3COO]- 205.10815 171.6
[M+Na-2H]- 167.06897 136.0
[M]+ 146.09375 133.3
[M]- 146.09485 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