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

10
Patents

158.13068 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.13796 135.9
[M+Na]+ 181.11990 143.8
[M-H]- 157.12340 137.8
[M+NH4]+ 176.16450 152.8
[M+K]+ 197.09384 141.5
[M+H-H2O]+ 141.12794 131.6
[M+HCOO]- 203.12888 156.4
[M+CH3COO]- 217.14453 176.5
[M+Na-2H]- 179.10535 142.3
[M]+ 158.13013 139.2
[M]- 158.13123 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