CID 20426485

3-cyclopropylpropan-1-ol

Structural Information

Molecular Formula
C6H12O
SMILES
C1CC1CCCO
InChI
InChI=1S/C6H12O/c7-5-1-2-6-3-4-6/h6-7H,1-5H2
InChIKey
ISBNDFWSSCIEHO-UHFFFAOYSA-N
Compound name
3-cyclopropylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

630
Patents

100.08881 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.09609 119.8
[M+Na]+ 123.07803 128.6
[M-H]- 99.081534 123.2
[M+NH4]+ 118.12263 137.7
[M+K]+ 139.05197 126.8
[M+H-H2O]+ 83.086070 114.5
[M+HCOO]- 145.08701 142.8
[M+CH3COO]- 159.10266 169.0
[M+Na-2H]- 121.06348 127.1
[M]+ 100.08826 121.8
[M]- 100.08936 121.8
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