CID 68316842

(3-ethylcyclobutyl)methanol

Structural Information

Molecular Formula
C7H14O
SMILES
CCC1CC(C1)CO
InChI
InChI=1S/C7H14O/c1-2-6-3-7(4-6)5-8/h6-8H,2-5H2,1H3
InChIKey
JLIIZUPFAWSETP-UHFFFAOYSA-N
Compound name
(3-ethylcyclobutyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

114.10446 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.111736 122.2
[M+Na]+ 137.093678 128.0
[M-H]- 113.097184 124.5
[M+NH4]+ 132.138283 138.1
[M+K]+ 153.067618 130.0
[M+H-H2O]+ 97.101720 113.0
[M+HCOO]- 159.102661 142.8
[M+CH3COO]- 173.118311 172.4
[M+Na-2H]- 135.079126 127.5
[M]+ 114.10391142 129.6
[M]- 114.10500858 129.6
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