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

635
Patents

100.08881 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.096086 119.8
[M+Na]+ 123.078028 128.6
[M-H]- 99.081534 123.2
[M+NH4]+ 118.122633 137.7
[M+K]+ 139.051968 126.8
[M+H-H2O]+ 83.086070 114.5
[M+HCOO]- 145.087011 142.8
[M+CH3COO]- 159.102661 169.0
[M+Na-2H]- 121.063476 127.1
[M]+ 100.08826142 121.8
[M]- 100.08935858 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