CID 14907427

Rac-2-[(1r,2r)-2-ethylcyclopropyl]ethan-1-ol

Structural Information

Molecular Formula
C7H14O
SMILES
CC[C@@H]1C[C@@H]1CCO
InChI
InChI=1S/C7H14O/c1-2-6-5-7(6)3-4-8/h6-8H,2-5H2,1H3/t6-,7+/m1/s1
InChIKey
IPKMDCPNAOYUEB-RQJHMYQMSA-N
Compound name
2-[(1R,2R)-2-ethylcyclopropyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

114.10446 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.111736 123.4
[M+Na]+ 137.093678 132.7
[M-H]- 113.097184 127.0
[M+NH4]+ 132.138283 141.1
[M+K]+ 153.067618 130.6
[M+H-H2O]+ 97.101720 118.2
[M+HCOO]- 159.102661 146.0
[M+CH3COO]- 173.118311 172.9
[M+Na-2H]- 135.079126 129.6
[M]+ 114.10391142 126.2
[M]- 114.10500858 126.2
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