CID 125424402

3-[1-(3-hydroxypropyl)cyclopropyl]propan-1-ol

Structural Information

Molecular Formula
C9H18O2
SMILES
C1CC1(CCCO)CCCO
InChI
InChI=1S/C9H18O2/c10-7-1-3-9(5-6-9)4-2-8-11/h10-11H,1-8H2
InChIKey
INNRAURZFRXXAK-UHFFFAOYSA-N
Compound name
3-[1-(3-hydroxypropyl)cyclopropyl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

158.13068 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.137956 135.9
[M+Na]+ 181.119898 143.8
[M-H]- 157.123404 137.8
[M+NH4]+ 176.164503 152.8
[M+K]+ 197.093838 141.5
[M+H-H2O]+ 141.127940 131.6
[M+HCOO]- 203.128881 156.4
[M+CH3COO]- 217.144531 176.5
[M+Na-2H]- 179.105346 142.3
[M]+ 158.13013142 139.2
[M]- 158.13122858 139.2
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