CID 12441662

1-cyclopropylbutan-1-ol

Structural Information

Molecular Formula
C7H14O
SMILES
CCCC(C1CC1)O
InChI
InChI=1S/C7H14O/c1-2-3-7(8)6-4-5-6/h6-8H,2-5H2,1H3
InChIKey
WVALFCMAGSOASB-UHFFFAOYSA-N
Compound name
1-cyclopropylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

114.10446 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.11174 123.8
[M+Na]+ 137.09368 132.0
[M-H]- 113.09718 127.1
[M+NH4]+ 132.13828 141.1
[M+K]+ 153.06762 130.3
[M+H-H2O]+ 97.101720 118.4
[M+HCOO]- 159.10266 145.5
[M+CH3COO]- 173.11831 172.6
[M+Na-2H]- 135.07913 129.5
[M]+ 114.10391 125.6
[M]- 114.10501 125.6
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