CID 53852357

4-cyclopropoxybutan-1-ol

Structural Information

Molecular Formula
C7H14O2
SMILES
C1CC1OCCCCO
InChI
InChI=1S/C7H14O2/c8-5-1-2-6-9-7-3-4-7/h7-8H,1-6H2
InChIKey
NYJXQSFQDRKYBM-UHFFFAOYSA-N
Compound name
4-cyclopropyloxybutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

130.09938 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.10666 127.7
[M+Na]+ 153.08860 136.1
[M-H]- 129.09210 130.9
[M+NH4]+ 148.13320 144.4
[M+K]+ 169.06254 134.3
[M+H-H2O]+ 113.09664 122.1
[M+HCOO]- 175.09758 150.6
[M+CH3COO]- 189.11323 173.7
[M+Na-2H]- 151.07405 134.5
[M]+ 130.09883 131.6
[M]- 130.09993 131.6
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