CID 89030083

147228-48-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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

literature stripe

Patent stripe

patents stripe