CID 9964076

152922-71-9

Structural Information

Molecular Formula
C6H9NO
SMILES
C1CC1(CC#N)CO
InChI
InChI=1S/C6H9NO/c7-4-3-6(5-8)1-2-6/h8H,1-3,5H2
InChIKey
WYOMLUMUVAPMKE-UHFFFAOYSA-N
Compound name
2-[1-(hydroxymethyl)cyclopropyl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

352
Patents

111.06841 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 118.9
[M+Na]+ 134.05763 134.5
[M-H]- 110.06113 124.7
[M+NH4]+ 129.10223 138.1
[M+K]+ 150.03157 129.7
[M+H-H2O]+ 94.065670 111.3
[M+HCOO]- 156.06661 140.1
[M+CH3COO]- 170.08226 182.9
[M+Na-2H]- 132.04308 128.8
[M]+ 111.06786 118.3
[M]- 111.06896 118.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe