CID 537217

2-methylpentyl formate

Structural Information

Molecular Formula
C7H14O2
SMILES
CCCC(C)COC=O
InChI
InChI=1S/C7H14O2/c1-3-4-7(2)5-9-6-8/h6-7H,3-5H2,1-2H3
InChIKey
KYHHSTLLLQRFHJ-UHFFFAOYSA-N
Compound name
2-methylpentyl formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1064
Patents

130.09938 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.10666 128.1
[M+Na]+ 153.08860 135.1
[M-H]- 129.09210 128.4
[M+NH4]+ 148.13320 150.4
[M+K]+ 169.06254 135.4
[M+H-H2O]+ 113.09664 123.6
[M+HCOO]- 175.09758 151.4
[M+CH3COO]- 189.11323 174.1
[M+Na-2H]- 151.07405 133.6
[M]+ 130.09883 131.4
[M]- 130.09993 131.4
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