CID 3023124

6-hydroxyhexyl formate

Structural Information

Molecular Formula
C7H14O3
SMILES
C(CCCOC=O)CCO
InChI
InChI=1S/C7H14O3/c8-5-3-1-2-4-6-10-7-9/h7-8H,1-6H2
InChIKey
ZDLOJUDFCVYMAE-UHFFFAOYSA-N
Compound name
6-hydroxyhexyl formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

146.0943 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.101576 131.3
[M+Na]+ 169.083518 138.0
[M-H]- 145.087024 130.0
[M+NH4]+ 164.128123 152.1
[M+K]+ 185.057458 137.4
[M+H-H2O]+ 129.091560 126.6
[M+HCOO]- 191.092501 154.2
[M+CH3COO]- 205.108151 172.6
[M+Na-2H]- 167.068966 137.4
[M]+ 146.09375142 134.8
[M]- 146.09484858 134.8
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